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CHEBI:209973 - WBP-29479A1

ChEBI IDCHEBI:209973
ChEBI NameWBP-29479A1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC72H112N18O16
Net Charge0
Average Mass1485.798
Monoisotopic Mass1484.85037
SMILESCC(C)CCC[C@@H]1CC(=O)N[C@@H](C(C)C)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)N(C)[C@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(C)C)C(=O)N[C@H](Cc2cnc3ccccc23)C(=O)NCCCC(=O)O1
InChIInChI=1S/C72H112N18O16/c1-40(2)19-15-22-46-36-56(92)88-60(42(5)6)69(104)84-50(26-17-32-79-72(75)76)65(100)87-54(39-91)63(98)81-38-57(93)90(9)55(34-44-20-11-10-12-21-44)68(103)85-52(33-41(3)4)67(102)82-49(25-16-31-78-71(73)74)64(99)83-51(28-29-58(94)95)66(101)89-61(43(7)8)70(105)86-53(62(97)77-30-18-27-59(96)106-46)35-45-37-80-48-24-14-13-23-47(45)48/h10-14,20-21,23-24,37,40-43,46,49-55,60-61,80,91H,15-19,22,25-36,38-39H2,1-9H3,(H,77,97)(H,81,98)(H,82,102)(H,83,99)(H,84,104)(H,85,103)(H,86,105)(H,87,100)(H,88,92)(H,89,101)(H,94,95)(H4,73,74,78)(H4,75,76,79)/t46-,49-,50-,51+,52+,53-,54+,55-,60+,61-/m1/s1
InChIKeyJNEZSAFXDDDKDT-RRCXPIHTSA-N
Species of MetaboliteComponentSourceComments
Lysobacter antibioticus (ncbitaxon:84531) - PubMed (31386380)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
WBP-29479A1 (CHEBI:209973) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
3-[(2R,6S,9R,12S,18R,21S,24R,27S,30R,33R)-18-benzyl-9,24-bis[3-(diaminomethylideneamino)propyl]-12-(hydroxymethyl)-33-(1H-indol-3-ylmethyl)-17-methyl-2-(4-methylpentyl)-21-(2-methylpropyl)-4,7,10,13,16,19,22,25,28,31,34,39-dodecaoxo-6,30-di(propan-2-yl)-1-oxa-5,8,11,14,17,20,23,26,29,32,35-undecazacyclononatriacont-27-yl]propanoic acid