Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Procalcitonin
RN: 56645-65-9
InChIKey: PBGNJGVTFINXOG-XJVRLEFXSA-N

Note

  • RefSeq NM_001741.

Molecular Weight

  • 3790.3264
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Procalcitonin

Synonyms

  • CALC1 protein, human
  • CALCA protein, human
  • Calcitonin precursor polyprotein
  • calcitonin/calcitonin-related polypeptide, alpha protein, human
  • CGRP1 protein, human

Systematic Name

  • Calcitonin, pro-

Registry Numbers

CAS Registry Number

  • 56645-65-9

System Generated Number

  • 0056645659

Structure Descriptors

InChI

1S/C163H266N50O50S2/c1-73(2)52-96(185-116(225)65-178-130(231)82(18)182-138(239)97(53-74(3)4)191-136(237)94(44-35-49-175-162(170)171)187-141(242)100(57-91-62-174-72-181-91)197-158(259)128(88(24)220)212-155(256)123(79(13)14)206-150(251)110-71-265-264-70-109(202-129(230)81(17)166)149(250)196-104(61-119(228)229)146(247)210-125(85(21)217)156(257)184-84(20)132(233)209-126(86(22)218)159(260)203-110)139(240)192-98(54-75(5)6)140(241)201-108(69-216)148(249)189-95(45-36-50-176-163(172)173)137(238)200-106(67-214)133(234)179-63-115(224)177-64-118(227)204-121(77(9)10)154(255)207-122(78(11)12)153(254)190-93(43-32-34-48-165)135(236)194-101(58-112(167)221)143(244)195-102(59-113(168)222)142(243)193-99(55-89-38-27-25-28-39-89)144(245)208-124(80(15)16)160(261)213-51-37-46-111(213)151(252)211-127(87(23)219)157(258)198-103(60-114(169)223)145(246)205-120(76(7)8)152(253)180-66-117(226)186-107(68-215)147(248)188-92(42-31-33-47-164)134(235)183-83(19)131(232)199-105(161(262)263)56-90-40-29-26-30-41-90/h25-30,38-41,62,72-88,92-111,120-128,214-220H,31-37,42-61,63-71,164-166H2,1-24H3,(H2,167,221)(H2,168,222)(H2,169,223)(H,174,181)(H,177,224)(H,178,231)(H,179,234)(H,180,253)(H,182,239)(H,183,235)(H,184,257)(H,185,225)(H,186,226)(H,187,242)(H,188,248)(H,189,249)(H,190,254)(H,191,237)(H,192,240)(H,193,243)(H,194,236)(H,195,244)(H,196,250)(H,197,259)(H,198,258)(H,199,232)(H,200,238)(H,201,241)(H,202,230)(H,203,260)(H,204,227)(H,205,246)(H,206,251)(H,207,255)(H,208,245)(H,209,233)(H,210,247)(H,211,252)(H,212,256)(H,228,229)(H,262,263)(H4,170,171,175)(H4,172,173,176)/t81-,82-,83-,84-,85+,86+,87+,88+,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,120-,121-,122-,123-,124-,125-,126-,127-,128-/m0/s1

InChIKey

PBGNJGVTFINXOG-XJVRLEFXSA-N

Smiles

CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](C(C)C)C(=O)N4CCC[C@H]4C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc5ccccc5)C(=O)O