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CHEBI:222672 - Rubrinodin

ChEBI IDCHEBI:222672
ChEBI NameRubrinodin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC95H153N31O34
Net Charge0
Average Mass2273.452
Monoisotopic Mass2272.11962
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc2cncn2)C(=O)N2CCC[C@H]2C(=O)N[C@H](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](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)O)C(C)C)NC1=O
InChIInChI=1S/C95H153N31O34/c1-10-45(8)73-89(155)118-58(36-67(133)106-38-68(134)122-74(46(9)129)90(156)124-73)92(158)125-29-13-17-62(125)86(152)113-50(19-23-64(96)130)78(144)115-56(34-65(97)131)83(149)121-61(40-128)85(151)112-51(20-24-69(135)136)77(143)110-52(21-25-70(137)138)79(145)117-57(33-47-37-103-41-107-47)91(157)126-30-14-18-63(126)87(153)123-72(44(6)7)88(154)116-55(32-43(4)5)82(148)120-60(39-127)84(150)109-48(15-11-27-104-94(99)100)75(141)108-49(16-12-28-105-95(101)102)76(142)114-54(31-42(2)3)81(147)111-53(22-26-71(139)140)80(146)119-59(93(159)160)35-66(98)132/h37,41-46,48-63,72-74,127-129H,10-36,38-40H2,1-9H3,(H2,96,130)(H2,97,131)(H2,98,132)(H,103,107)(H,106,133)(H,108,141)(H,109,150)(H,110,143)(H,111,147)(H,112,151)(H,113,152)(H,114,142)(H,115,144)(H,116,154)(H,117,145)(H,118,155)(H,119,146)(H,120,148)(H,121,149)(H,122,134)(H,123,153)(H,124,156)(H,135,136)(H,137,138)(H,139,140)(H,159,160)(H4,99,100,104)(H4,101,102,105)/t45-,46+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,72-,73-,74-/m0/s1
InChIKeyBPCWPTOJYRUAMX-MAIUAJHSSA-N
Species of MetaboliteComponentSourceComments
Rubrivivax albus (ncbitaxon:2499835) - PubMed (35298141)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Rubrinodin (CHEBI:222672) is a peptide (CHEBI:16670)