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CHEBI:218582 - Alterochromide A''

ChEBI IDCHEBI:218582
ChEBI NameAlterochromide A''
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H49N7O10
Net Charge0
Average Mass751.838
Monoisotopic Mass751.35409
SMILESCC(C)[C@@H]1NC(=O)[C@@H](NC(=O)/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/C37H49N7O10/c1-20(2)30-35(51)41-25(18-27(38)46)33(49)40-26(19-28(39)47)34(50)44-31(21(3)4)37(53)54-22(5)32(36(52)43-30)42-29(48)13-11-9-7-6-8-10-12-23-14-16-24(45)17-15-23/h6-17,20-22,25-26,30-32,45H,18-19H2,1-5H3,(H2,38,46)(H2,39,47)(H,40,49)(H,41,51)(H,42,48)(H,43,52)(H,44,50)/b8-6+,9-7+,12-10+,13-11+/t22-,25+,26+,30+,31+,32+/m1/s1
InChIKeyPPWHZYRECFVKDR-MOILHBHHSA-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 A'' (CHEBI:218582) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2E,4E,6E,8E)-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]-9-(4-hydroxyphenyl)nona-2,4,6,8-tetraenamide
Manual XrefsDatabases
78442810ChemSpider