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CHEBI:211290 - Nannochelin C

ChEBI IDCHEBI:211290
ChEBI NameNannochelin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC36H44N4O13
Net Charge0
Average Mass740.763
Monoisotopic Mass740.29049
SMILESO=C(CC(O)(CC(=O)N[C@@H](CCCCN(O)C(=O)/C=C/c1ccccc1)C(=O)O)C(=O)O)N[C@@H](CCCCN(O)C(=O)/C=C/c1ccccc1)C(=O)O
InChIInChI=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
InChIKeyNJZHNIXLUZOOST-KIPNRVANSA-N
Species of MetaboliteComponentSourceComments
Nannocystis (ncbitaxon:53) - PubMed (1556005)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
20144000ChemSpider