CHEBI:227013 - Curtachalasin J

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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 Curtachalasin J
ChEBI ID CHEBI:227013
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H39NO8
Net Charge 0
Average Mass 541.641
Monoisotopic Mass 541.26757
InChI InChI=1S/C30H39NO8/c1-13-11-19-21(26(36)30(13,38)16(4)32)27(39-17(5)33)29-22(14(2)15(3)24(34)23(29)25(19)35)20(31-28(29)37)12-18-9-7-6-8-10-18/h6-10,13,19-27,34-36,38H,11-12H2,1-5H3,(H,31,37)/t13-,19+,20-,21-,22-,23+,24+,25-,26+,27+,29+,30+/m0/s1
InChIKey PZEYZPGMULDSAE-RLNAPVKGSA-N
SMILES O=C1N[C@@H](CC2=CC=CC=C2)[C@H]3[C@@]14[C@H](OC(=O)C)[C@@H]5[C@@H](O)[C@](O)(C(=O)C)[C@@H](C)C[C@H]5[C@@H]([C@H]4[C@H](O)C(C)=C3C)O
Metabolite of Species Details
Xylaria (NCBI:txid37991) See: PubMed
ChEBI Ontology
Outgoing Curtachalasin J (CHEBI:227013) is a organic heterotetracyclic compound (CHEBI:38163)
IUPAC Name
[(1R,2R,3S,4R,5S,6S,8R,9S,10S,11S,14R,15S)-5-acetyl-15-benzyl-4,5,9,11-tetrahydroxy-6,12,13-trimethyl-17-oxo-16-azatetracyclo[8.7.0.01,14.03,8]heptadec-12-en-2-yl] acetate
Citation Waiting for Citations Type Source
31408074 PubMed citation Europe PMC
Last Modified
28 February 2024