CHEBI:218636 - Dibromoalterochromide 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 Dibromoalterochromide A'
ChEBI ID CHEBI:218636
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C38H49Br2N7O10
Net Charge 0
Average Mass 923.657
Monoisotopic Mass 921.19077
InChI InChI=1S/C38H49Br2N7O10/c1-19(2)14-27-38(56)57-21(5)32(46-30(50)13-11-9-7-6-8-10-12-22-15-23(39)33(51)24(40)16-22)37(55)47-31(20(3)4)36(54)44-26(18-29(42)49)34(52)43-25(17-28(41)48)35(53)45-27/h6-13,15-16,19-21,25-27,31-32,51H,14,17-18H2,1-5H3,(H2,41,48)(H2,42,49)(H,43,52)(H,44,54)(H,45,53)(H,46,50)(H,47,55)/b8-6+,9-7+,12-10+,13-11+/t21-,25+,26+,27+,31+,32+/m1/s1
InChIKey QYGWYWHHLSTRMY-GHTLAPQGSA-N
SMILES BrC1=C(O)C(Br)=CC(=C1)/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)CC(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 Dibromoalterochromide A' (CHEBI:218636) 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-(3,5-dibromo-4-hydroxyphenyl)nona-2,4,6,8-tetraenamide
Manual Xref Database
78442819 ChemSpider
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