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Substance Name: Hepcidin
RN: 342809-17-0
InChIKey: XJOTXKZIRSHZQV-RXHOOSIZSA-N

Note

  • /Hepcidins/ ... Forms of hepcidin, a cationic amphipathic peptide synthesized in the liver as a prepropeptide which is first processed into prohepcidin and then into the biologically active hepcidin forms, including in human the 20-, 22-, and 25-amino acid residue peptide forms. Hepcidin acts as a homeostatic regulators of iron metabolism and also possesses antimicrobial activity.

Molecular Formula

  • Unspecified

Molecular Weight

  • 2789.387
 

Classification Codes

  • Anti-Bacterial Agents
  • Anti-Infective Agents
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Names and Synonyms

  • Hepcidin

Registry Numbers

CAS Registry Number

  • 342809-17-0

System Generated Number

  • 0342809170

Structure Descriptors

InChI

1S/C113H170N34O31S9/c1-8-56(3)86-108(173)132-69(36-60-22-12-10-13-23-60)97(162)139-80-52-183-182-48-76-101(166)140-78-50-185-186-51-79(138-95(160)68(30-35-179-7)126-83(151)43-122-91(156)74(46-180-181-47-75(137-104(80)169)92(157)123-44-84(152)127-76)136-94(159)65(26-16-18-31-114)129-100(165)73(45-148)135-93(158)67(28-20-33-121-113(117)118)128-98(163)70(131-103(78)168)38-62-41-119-54-124-62)105(170)141-77(102(167)130-66(27-17-19-32-115)96(161)146-89(59(6)150)112(177)178)49-184-187-53-81(106(171)143-86)142-109(174)87(57(4)9-2)144-107(172)82-29-21-34-147(82)111(176)72(37-61-24-14-11-15-25-61)134-99(164)71(39-63-42-120-55-125-63)133-110(175)88(58(5)149)145-90(155)64(116)40-85(153)154/h10-15,22-25,41-42,54-59,64-82,86-89,148-150H,8-9,16-21,26-40,43-53,114-116H2,1-7H3,(H,119,124)(H,120,125)(H,122,156)(H,123,157)(H,126,151)(H,127,152)(H,128,163)(H,129,165)(H,130,167)(H,131,168)(H,132,173)(H,133,175)(H,134,164)(H,135,158)(H,136,159)(H,137,169)(H,138,160)(H,139,162)(H,140,166)(H,141,170)(H,142,174)(H,143,171)(H,144,172)(H,145,155)(H,146,161)(H,153,154)(H,177,178)(H4,117,118,121)/t56-,57-,58+,59+,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,86-,87-,88-,89-/m0/s1

InChIKey

XJOTXKZIRSHZQV-RXHOOSIZSA-N

Smiles

CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H]2CSSC[C@H]3C(=O)N[C@H]4CSSC[C@@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N1)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]5CCCN5C(=O)[C@H](Cc6ccccc6)NC(=O)[C@H](Cc7cnc[nH]7)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CSSC[C@@H](C(=O)NCC(=O)N3)NC2=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC4=O)Cc8cnc[nH]8)CCCNC(=N)N)CO)CCCCN)CCSC)Cc9ccccc9