Structure of Procalcitonin (C153H228N40O47S3)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Procalcitonin molecule contains a total of 478 bond(s). There are 250 non-H bond(s), 67 multiple bond(s), 93 rotatable bond(s), 38 double bond(s), 29 aromatic bond(s), 3 five-membered ring(s), 4 six-membered ring(s), 2 carboxylic acid(s) (aliphatic), 4 primary amide(s) (aliphatic), 30 secondary amide(s) (aliphatic), 2 tertiary amide(s) (aliphatic), 2 primary amine(s) (aliphatic), 8 hydroxyl group(s), 1 aromatic hydroxyl(s), 1 primary alcohol(s), 5 secondary alcohol(s), 1 sulfide(s), 1 disulfide(s), 2 Pyrrolidine(s), and 1 Imidazole(s). Images of the chemical structure of Procalcitonin are given below:

The 2D chemical structure image of Procalcitonin is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Procalcitonin are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of Procalcitonin is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of Procalcitonin.

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Additional Information for Identifying Procalcitonin Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of Procalcitonin

  The SMILES string of Procalcitonin is , which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Procalcitonin.

• Structure Data File (SDF/MOL File) of Procalcitonin

  The structure data file (SDF/MOL File) of Procalcitonin is available for download in the SDF page of Procalcitonin, which provides the information about the atoms, bonds, connectivity and coordinates of Procalcitonin. The Procalcitonin structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of Procalcitonin

  The molecular formula of Procalcitonin is available in chemical formula page of Procalcitonin, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of Procalcitonin

  The molecular weight of Procalcitonin is available in molecular weight page of Procalcitonin, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

• Other names (synonyms) or registry numbers of Procalcitonin

  The Procalcitonin compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Procalcitonin including the various registry numbers, if available:

  • Procalcitonin

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Procalcitonin Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Procalcitonin?
C153H228N40O47S3
How many atoms and what are the elements included the Procalcitonin molecule?
471 atom(s) - 228 Hydrogen atom(s), 153 Carbon atom(s), 40 Nitrogen atom(s), 47 Oxygen atom(s), and 3 Sulfur atom(s)
How many chemical bonds and what kind of bonds are included the Procalcitonin structure?
478 bond(s) - 250 non-H bond(s), 67 multiple bond(s), 93 rotatable bond(s), 38 double bond(s), 29 aromatic bond(s), 3 five-membered ring(s), 4 six-membered ring(s), 2 carboxylic acid(s) (aliphatic), 4 primary amide(s) (aliphatic), 30 secondary amide(s) (aliphatic), 2 tertiary amide(s) (aliphatic), 2 primary amine(s) (aliphatic), 8 hydroxyl group(s), 1 aromatic hydroxyl(s), 1 primary alcohol(s), 5 secondary alcohol(s), 1 sulfide(s), 1 disulfide(s), 2 Pyrrolidine(s), and 1 Imidazole(s)
What’s the Procalcitonin’s molecular weight?
3475.88222 g/mol
What’s the SMILES code of Procalcitonin?
What’s the InChI string of Procalcitonin?
InChI=1S/C153H228N40O47S3/c1-17-76(8)120(146(233)164-67-115(207)185-119(75(6)7)145(232)163-64-113(205)167-78(10)152(239)192-50-29-38-107(192)143(230)165-68-118(211)212)187-126(213)77(9)168-147(234)122(80(12)196)188-132(219)93(45-47-110(157)202)172-144(231)108-39-30-51-193(108)153(240)104(58-86-35-25-20-26-36-86)182-150(237)124(82(14)198)190-140(227)100(59-88-63-160-72-166-88)178-134(221)97(55-84-31-21-18-22-32-84)176-129(216)91(37-27-28-49-154)170-137(224)102(61-112(159)204)179-135(222)98(56-85-33-23-19-24-34-85)177-138(225)103(62-117(209)210)180-130(217)92(44-46-109(156)201)173-149(236)123(81(13)197)189-139(226)99(57-87-40-42-89(200)43-41-87)181-148(235)121(79(11)195)186-116(208)66-162-128(215)95(53-73(2)3)174-131(218)94(48-52-241-16)171-142(229)106-71-243-242-70-90(155)127(214)161-65-114(206)169-101(60-111(158)203)136(223)175-96(54-74(4)5)133(220)183-105(69-194)141(228)191-125(83(15)199)151(238)184-106/h18-26,31-36,40-43,63,72-83,90-108,119-125,194-200H,17,27-30,37-39,44-62,64-71,154-155H2,1-16H3,(H2,156,201)(H2,157,202)(H2,158,203)(H2,159,204)(H,160,166)(H,161,214)(H,162,215)(H,163,232)(H,164,233)(H,165,230)(H,167,205)(H,168,234)(H,169,206)(H,170,224)(H,171,229)(H,172,231)(H,173,236)(H,174,218)(H,175,223)(H,176,216)(H,177,225)(H,178,221)(H,179,222)(H,180,217)(H,181,235)(H,182,237)(H,183,220)(H,184,238)(H,185,207)(H,186,208)(H,187,213)(H,188,219)(H,189,226)(H,190,227)(H,191,228)(H,209,210)(H,211,212)/t76-,77-,78-,79+,80+,81+,82+,83+,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,119-,120-,121-,122-,123-,124-,125-/m0/s1
What’s the InChIKey code of Procalcitonin?
CWCXERYKLSEGEZ-KDKHKZEGSA-N

2684 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented SQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2022).