CHEBI:211290 - Nannochelin C

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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 Nannochelin C
ChEBI ID CHEBI:211290
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C36H44N4O13
Net Charge 0
Average Mass 740.763
Monoisotopic Mass 740.29049
InChI InChI=1S/C36H44N4O13/c41-29(37-27(33(45)46)15-7-9-21-39(52)31(43)19-17-25-11-3-1-4-12-25)23-36(51,35(49)50)24-30(42)38-28(34(47)48)16-8-10-22-40(53)32(44)20-18-26-13-5-2-6-14-26/h1-6,11-14,17-20,27-28,51-53H,7-10,15-16,21-24H2,(H,37,41)(H,38,42)(H,45,46)(H,47,48)(H,49,50)/b19-17+,20-18+/t27-,28-/m0/s1
InChIKey NJZHNIXLUZOOST-KIPNRVANSA-N
SMILES O=C(N(O)CCCC[C@H](NC(=O)CC(O)(C(=O)O)CC(=O)N[C@H](C(=O)O)CCCCN(O)C(=O)/C=C/C1=CC=CC=C1)C(=O)O)/C=C/C2=CC=CC=C2
Metabolite of Species Details
Nannocystis (NCBI:txid53) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Nannochelin C (CHEBI:211290) is a N-acyl-L-amino acid (CHEBI:21644)
IUPAC Name
4-[[(1S)-1-carboxy-5-[hydroxy-[(E)-3-phenylprop-2-enoyl]amino]pentyl]amino]-2-[2-[[(1S)-1-carboxy-5-[hydroxy-[(E)-3-phenylprop-2-enoyl]amino]pentyl]amino]-2-oxoethyl]-2-hydroxy-4-oxobutanoic acid
Manual Xref Database
20144000 ChemSpider
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