CHEBI:202999 - Bromoalterochromide 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 Bromoalterochromide A'
ChEBI ID CHEBI:202999
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C38H50BrN7O10
Net Charge 0
Average Mass 844.761
Monoisotopic Mass 843.28025
InChI InChI=1S/C38H50BrN7O10/c1-20(2)16-27-38(55)56-22(5)33(45-31(50)13-11-9-7-6-8-10-12-23-14-15-28(47)24(39)17-23)37(54)46-32(21(3)4)36(53)43-26(19-30(41)49)34(51)42-25(18-29(40)48)35(52)44-27/h6-15,17,20-22,25-27,32-33,47H,16,18-19H2,1-5H3,(H2,40,48)(H2,41,49)(H,42,51)(H,43,53)(H,44,52)(H,45,50)(H,46,54)/b8-6+,9-7+,12-10+,13-11+/t22-,25+,26+,27+,32+,33+/m1/s1
InChIKey AZKKJPHFGXHXKQ-YRLMMGSCSA-N
SMILES BrC1=C(O)C=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 maricaloris (NCBI:txid184924) 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 Bromoalterochromide A' (CHEBI:202999) 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-bromo-4-hydroxyphenyl)nona-2,4,6,8-tetraenamide
Manual Xref Database
17264471 ChemSpider
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