CHEBI:218599 - 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:218599
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C39H51N7O10
Net Charge 0
Average Mass 777.876
Monoisotopic Mass 777.36974
InChI InChI=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
InChIKey PHJHUSAIVDFHQZ-MZFXHIKXSA-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]1C(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: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 Xref Database
78442813 ChemSpider
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