CHEBI:210397 - Dibromoalterochromide D

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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 D
ChEBI ID CHEBI:210397
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C39H51Br2N7O10
Net Charge 0
Average Mass 937.684
Monoisotopic Mass 935.20642
InChI InChI=1S/C39H51Br2N7O10/c1-6-20(3)31-37(55)45-26(18-28(42)49)35(53)44-27(19-29(43)50)36(54)48-32(21(4)7-2)39(57)58-22(5)33(38(56)47-31)46-30(51)15-13-11-9-8-10-12-14-23-16-24(40)34(52)25(41)17-23/h8-17,20-22,26-27,31-33,52H,6-7,18-19H2,1-5H3,(H2,42,49)(H2,43,50)(H,44,53)(H,45,55)(H,46,51)(H,47,56)(H,48,54)/b10-8+,11-9+,14-12+,15-13+/t20-,21-,22+,26-,27+,31+,32+,33+/m0/s1
InChIKey RIJDQFOTJONNBF-FLQWLISCSA-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)[C@H](CC)C)=O)CC(=O)N)CC(=O)N)[C@H](CC)C
Metabolite of Species Details
Pseudoalteromonasspecies (NCBI:txid53249) 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 D (CHEBI:210397) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(2E,4E,6E,8E)-N-[(3R,6R,9S,12R,15R,16R)-6,9-bis(2-amino-2-oxoethyl)-3,12-bis[(2S)-butan-2-yl]-16-methyl-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]-9-(3,5-dibromo-4-hydroxyphenyl)nona-2,4,6,8-tetraenamide