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CHEBI:223260 - Clonocoprogen A

ChEBI IDCHEBI:223260
ChEBI NameClonocoprogen A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H82N6O14
Net Charge0
Average Mass967.212
Monoisotopic Mass966.58890
SMILESCCCCCCCCCCCCCCC(=O)N[C@@H](CCCN(O)C(=O)/C=C(\C)CCO)C(=O)OCC/C(C)=C/C(=O)N(O)CCC[C@@H]1NC(=O)[C@H](CCCN(O)C(=O)/C=C(\C)C(O)CO)NC1=O
InChIInChI=1S/C48H82N6O14/c1-5-6-7-8-9-10-11-12-13-14-15-16-23-42(58)49-40(22-19-28-53(66)43(59)31-35(2)24-29-55)48(64)68-30-25-36(3)32-44(60)52(65)26-17-20-38-46(62)51-39(47(63)50-38)21-18-27-54(67)45(61)33-37(4)41(57)34-56/h31-33,38-41,55-57,65-67H,5-30,34H2,1-4H3,(H,49,58)(H,50,63)(H,51,62)/b35-31+,36-32+,37-33+/t38-,39-,40-,41?/m0/s1
InChIKeyBYULKRDRRZRKRS-NVIUCXGOSA-N
Species of MetaboliteComponentSourceComments
Clonostachys (ncbitaxon:110564) - PubMed (32139881)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Clonocoprogen A (CHEBI:223260) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
[(E)-5-[3-[(2S,5S)-5-[3-[[(E)-4,5-dihydroxy-3-methylpent-2-enoyl]-hydroxyamino]propyl]-3,6-dioxopiperazin-2-yl]propyl-hydroxyamino]-3-methyl-5-oxopent-3-enyl] (2S)-5-[hydroxy-[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]-2-(pentadecanoylamino)pentanoate