CHEBI:218576 - Alterochromide A'

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Alterochromide A'
ChEBI ID CHEBI:218576
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C38H51N7O10
Net Charge 0
Average Mass 765.865
Monoisotopic Mass 765.36974
InChI InChI=1S/C38H51N7O10/c1-21(2)18-28-38(54)55-23(5)33(44-31(49)13-11-9-7-6-8-10-12-24-14-16-25(46)17-15-24)37(53)45-32(22(3)4)36(52)42-27(20-30(40)48)34(50)41-26(19-29(39)47)35(51)43-28/h6-17,21-23,26-28,32-33,46H,18-20H2,1-5H3,(H2,39,47)(H2,40,48)(H,41,50)(H,42,52)(H,43,51)(H,44,49)(H,45,53)/b8-6+,9-7+,12-10+,13-11+/t23-,26+,27+,28+,32+,33+/m1/s1
InChIKey OWKXPRGJANXGFA-GSBAQSCKSA-N
SMILES O=C1O[C@@H]([C@H](NC(=O)/C=C/C=C/C=C/C=C/C2=CC=C(O)C=C2)C(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(N[C@H]1CC(C)C)=O)CC(=O)N)=O)CC(=O)N)C(C)C)C
Metabolite of Species Details
Pseudoalteromonas piscicida ATCC 15057 (NCBI:txid1279016) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Alterochromide A' (CHEBI:218576) 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-3-(2-methylpropyl)-2,5,8,11,14-pentaoxo-12-propan-2-yl-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]-9-(4-hydroxyphenyl)nona-2,4,6,8-tetraenamide
Manual Xref Database
78442809 ChemSpider
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