CHEBI:223110 - 21R-citrinadin A

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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 21R-citrinadin A
ChEBI ID CHEBI:223110
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information eMolecules:534594
Download Molfile XML SDF
Formula C35H52N4O6
Net Charge 0
Average Mass 624.823
Monoisotopic Mass 624.38869
InChI InChI=1S/C35H52N4O6/c1-19(2)26(38(9)10)29(41)44-22-14-20(3)39-18-33(36-8)17-34(32(6,7)35(33,43)16-21(39)15-22)24-13-11-12-23(25(24)37-30(34)42)27(40)28-31(4,5)45-28/h11-13,19-22,26,28,36,43H,14-18H2,1-10H3,(H,37,42)/t20-,21+,22+,26+,28-,33+,34-,35-/m0/s1
InChIKey BERMVHWKOOMCMF-INOZGOCBSA-N
SMILES O=C1NC=2C(C(=O)[C@@H]3OC3(C)C)=CC=CC2[C@]14C([C@@]5(O)C[C@H]6C[C@H](OC(=O)[C@H](N(C)C)C(C)C)C[C@@H](N6C[C@@]5(C4)NC)C)(C)C
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing 21R-citrinadin A (CHEBI:223110) is a α-amino acid ester (CHEBI:46874)