CHEBI:205204 - 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:205204
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/c1-6-21(4)32-38(55)56-22(5)33(44-30(50)14-12-10-8-7-9-11-13-23-15-16-27(47)24(39)17-23)37(54)45-31(20(2)3)36(53)43-25(18-28(40)48)34(51)42-26(19-29(41)49)35(52)46-32/h7-17,20-22,25-26,31-33,47H,6,18-19H2,1-5H3,(H2,40,48)(H2,41,49)(H,42,51)(H,43,53)(H,44,50)(H,45,54)(H,46,52)/b9-7+,10-8+,13-11+,14-12+
InChIKey VJNFPXDPZJZUKS-NOEJSRFCSA-N
SMILES BrC1=C(O)C=CC(=C1)/C=C/C=C/C=C/C=C/C(=O)NC2C(=O)NC(C(=O)NC(C(=O)NC(C(NC(C(OC2C)=O)C(CC)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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Bromoalterochromide A (CHEBI:205204) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(2E,4E,6E,8E)-N-[6,9-bis(2-amino-2-oxoethyl)-3-butan-2-yl-16-methyl-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
78444102 ChemSpider
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