CHEBI:218592 - Alterochromide B'

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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 B'
ChEBI ID CHEBI:218592
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C40H53N7O10
Net Charge 0
Average Mass 791.903
Monoisotopic Mass 791.38539
InChI InChI=1S/C40H53N7O10/c1-23(2)20-30-40(56)57-25(5)35(46-33(51)15-13-11-9-7-6-8-10-12-14-26-16-18-27(48)19-17-26)39(55)47-34(24(3)4)38(54)44-29(22-32(42)50)36(52)43-28(21-31(41)49)37(53)45-30/h6-19,23-25,28-30,34-35,48H,20-22H2,1-5H3,(H2,41,49)(H2,42,50)(H,43,52)(H,44,54)(H,45,53)(H,46,51)(H,47,55)/b7-6+,10-8+,11-9+,14-12+,15-13+/t25-,28+,29+,30+,34+,35+/m1/s1
InChIKey QXFREDMSNUKBFB-ZRODPMGZSA-N
SMILES O=C1O[C@@H]([C@H](NC(=O)/C=C/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 )
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ChEBI Ontology
Outgoing Alterochromide B' (CHEBI:218592) 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-3-(2-methylpropyl)-2,5,8,11,14-pentaoxo-12-propan-2-yl-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]-11-(4-hydroxyphenyl)undeca-2,4,6,8,10-pentaenamide
Manual Xref Database
78442812 ChemSpider
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