CHEBI:206137 - Carmabin 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 Carmabin B
ChEBI ID CHEBI:206137
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C40H59N5O7
Net Charge 0
Average Mass 721.940
Monoisotopic Mass 721.44145
InChI InChI=1S/C40H59N5O7/c1-26(15-13-14-16-28(3)46)23-27(2)38(49)45(8)35(25-31-17-11-10-12-18-31)37(48)42-29(4)39(50)43(6)30(5)40(51)44(7)34(36(41)47)24-32-19-21-33(52-9)22-20-32/h10-12,17-22,26-27,29-30,34-35H,13-16,23-25H2,1-9H3,(H2,41,47)(H,42,48)
InChIKey FZTCTTODSSJQQB-UHFFFAOYSA-N
SMILES O=C(N(C(C(=O)N)CC1=CC=C(OC)C=C1)C)C(N(C(=O)C(NC(=O)C(N(C(=O)C(CC(CCCCC(=O)C)C)C)C)CC2=CC=CC=C2)C)C)C
Metabolite of Species Details
Lyngbya majuscula (NCBI:txid158786) 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 Carmabin B (CHEBI:206137) is a peptide (CHEBI:16670)
IUPAC Name
N-[1-[[1-[[1-[[1-amino-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]-methylamino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-N,2,4-trimethyl-9-oxodecanamide
Manual Xref Database
8946480 ChemSpider
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