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CHEBI:218599 - Alterochromide B''

ChEBI IDCHEBI:218599
ChEBI NameAlterochromide B''
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H51N7O10
Net Charge0
Average Mass777.876
Monoisotopic Mass777.36974
SMILESCC(C)[C@@H]1NC(=O)[C@@H](NC(=O)/C=C/C=C/C=C/C=C/C=C/c2ccc(O)cc2)[C@@H](C)OC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O
InChIInChI=1S/C39H51N7O10/c1-22(2)32-37(53)43-27(20-29(40)48)35(51)42-28(21-30(41)49)36(52)46-33(23(3)4)39(55)56-24(5)34(38(54)45-32)44-31(50)15-13-11-9-7-6-8-10-12-14-25-16-18-26(47)19-17-25/h6-19,22-24,27-28,32-34,47H,20-21H2,1-5H3,(H2,40,48)(H2,41,49)(H,42,51)(H,43,53)(H,44,50)(H,45,54)(H,46,52)/b7-6+,10-8+,11-9+,14-12+,15-13+/t24-,27+,28+,32+,33+,34+/m1/s1
InChIKeyPHJHUSAIVDFHQZ-MZFXHIKXSA-N
Species of MetaboliteComponentSourceComments
Pseudoalteromonas piscicida ATCC 15057 (ncbitaxon:1279016) - PubMed (25140825)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Alterochromide B'' (CHEBI:218599) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2E,4E,6E,8E,10E)-N-[(3S,6S,9S,12S,15S,16R)-6,9-bis(2-amino-2-oxoethyl)-16-methyl-2,5,8,11,14-pentaoxo-3,12-di(propan-2-yl)-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]-11-(4-hydroxyphenyl)undeca-2,4,6,8,10-pentaenamide
Manual XrefsDatabases
78442813ChemSpider