CHEBI:218641 - Dibromoalterochromide 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 Dibromoalterochromide B
ChEBI ID CHEBI:218641
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C40H51Br2N7O10
Net Charge 0
Average Mass 949.695
Monoisotopic Mass 947.20642
InChI InChI=1S/C40H51Br2N7O10/c1-6-22(4)33-40(58)59-23(5)34(47-31(52)16-14-12-10-8-7-9-11-13-15-24-17-25(41)35(53)26(42)18-24)39(57)48-32(21(2)3)38(56)46-27(19-29(43)50)36(54)45-28(20-30(44)51)37(55)49-33/h7-18,21-23,27-28,32-34,53H,6,19-20H2,1-5H3,(H2,43,50)(H2,44,51)(H,45,54)(H,46,56)(H,47,52)(H,48,57)(H,49,55)/b8-7+,11-9+,12-10+,15-13+,16-14+/t22-,23-,27+,28+,32+,33+,34+/m1/s1
InChIKey HTBRFQWHWBVFDI-OYJGWVIESA-N
SMILES BrC1=C(O)C(Br)=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@@H](CC)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 B (CHEBI:218641) 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)-3-[(2R)-butan-2-yl]-16-methyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]-11-(3,5-dibromo-4-hydroxyphenyl)undeca-2,4,6,8,10-pentaenamide
Manual Xref Database
78442820 ChemSpider
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