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Substance Name: Fuctinin
RN: 157849-35-9
InChIKey: KKRSUYPJDWYEIB-QGKNCPSDSA-N

Note

  • An oligomeric endogenous non-glycosylated endogenous inhibitor of fucosyltransferase activities; 3 fragments, peptide 1,2 & 3; GenBank P80347-9.

Molecular Formula

  • C101-H162-N28-O39

Molecular Weight

  • 2392.5478
 
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Names and Synonyms

Name of Substance

  • Fuctinin

Systematic Name

  • L-Glutamic acid, L-seryl-L-alanyl-L-seryl-L-prolylglycyl-L-leucyl-L-prolyl-L-lysylglycyl-L-alpha-glutamyl-L-lysyl-L-alpha-glutamyl-L-glutaminyl-L-glutaminyl-L-alpha-glutamyl-L-alanyl-L-isoleucyl-L-alpha-glutamyl-L-histidyl-L-isoleucyl-L-alpha-aspartyl-

Registry Numbers

CAS Registry Number

  • 157849-35-9

System Generated Number

  • 0157849359

Structure Descriptors

InChI

1S/C101H162N28O39/c1-9-49(5)80(97(163)121-62(26-33-77(142)143)92(158)123-64(40-53-42-107-47-110-53)94(160)127-81(50(6)10-2)98(164)124-65(41-79(146)147)93(159)122-63(101(167)168)27-34-78(144)145)126-83(149)52(8)112-86(152)60(24-31-75(138)139)118-90(156)59(22-29-71(106)133)116-89(155)58(21-28-70(105)132)117-91(157)61(25-32-76(140)141)119-87(153)56(18-12-14-36-103)115-88(154)57(23-30-74(136)137)113-72(134)43-108-85(151)55(17-11-13-35-102)120-96(162)69-20-16-38-129(69)99(165)66(39-48(3)4)114-73(135)44-109-95(161)68-19-15-37-128(68)100(166)67(46-131)125-82(148)51(7)111-84(150)54(104)45-130/h42,47-52,54-69,80-81,130-131H,9-41,43-46,102-104H2,1-8H3,(H2,105,132)(H2,106,133)(H,107,110)(H,108,151)(H,109,161)(H,111,150)(H,112,152)(H,113,134)(H,114,135)(H,115,154)(H,116,155)(H,117,157)(H,118,156)(H,119,153)(H,120,162)(H,121,163)(H,122,159)(H,123,158)(H,124,164)(H,125,148)(H,126,149)(H,127,160)(H,136,137)(H,138,139)(H,140,141)(H,142,143)(H,144,145)(H,146,147)(H,167,168)/t49-,50-,51-,52-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,80-,81-/m0/s1

InChIKey

KKRSUYPJDWYEIB-QGKNCPSDSA-N

Smiles

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O