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CHEBI:223273 - Clonocoprogen C

ChEBI IDCHEBI:223273
ChEBI NameClonocoprogen C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H84N6O14
Net Charge0
Average Mass981.239
Monoisotopic Mass980.60455
SMILESCCCCCCCCCCCCCCCC(=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/C49H84N6O14/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-24-43(59)50-41(23-20-29-54(67)44(60)32-36(2)25-30-56)49(65)69-31-26-37(3)33-45(61)53(66)27-18-21-39-47(63)52-40(48(64)51-39)22-19-28-55(68)46(62)34-38(4)42(58)35-57/h32-34,39-42,56-58,66-68H,5-31,35H2,1-4H3,(H,50,59)(H,51,64)(H,52,63)/b36-32+,37-33+,38-34+/t39-,40-,41-,42?/m0/s1
InChIKeyWXKPSVKUCAJECJ-XFJCXSRGSA-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 C (CHEBI:223273) 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)-2-(hexadecanoylamino)-5-[hydroxy-[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]pentanoate