CHEBI:218625 - Bromoalterochromide 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 Bromoalterochromide B''
ChEBI ID CHEBI:218625
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C39H50BrN7O10
Net Charge 0
Average Mass 856.772
Monoisotopic Mass 855.28025
InChI InChI=1S/C39H50BrN7O10/c1-21(2)32-37(54)44-26(19-29(41)49)35(52)43-27(20-30(42)50)36(53)47-33(22(3)4)39(56)57-23(5)34(38(55)46-32)45-31(51)15-13-11-9-7-6-8-10-12-14-24-16-17-28(48)25(40)18-24/h6-18,21-23,26-27,32-34,48H,19-20H2,1-5H3,(H2,41,49)(H2,42,50)(H,43,52)(H,44,54)(H,45,51)(H,46,55)(H,47,53)/b7-6+,10-8+,11-9+,14-12+,15-13+/t23-,26+,27+,32+,33+,34+/m1/s1
InChIKey KALZLXXXCLDUKR-FNSDRRLQSA-N
SMILES BrC1=C(O)C=CC(=C1)/C=C/C=C/C=C/C=C/C=C/C(=O)N[C@@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(O[C@@H]2C)=O)C(C)C)=O)CC(=O)N)CC(=O)N)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 Bromoalterochromide B'' (CHEBI:218625) 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-(3-bromo-4-hydroxyphenyl)undeca-2,4,6,8,10-pentaenamide
Manual Xref Database
78442817 ChemSpider
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