CHEBI:223051 - Tolypocladin D

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Tolypocladin D
ChEBI ID CHEBI:223051
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H44ClNO6
Net Charge 0
Average Mass 574.160
Monoisotopic Mass 573.28572
InChI InChI=1S/C32H44ClNO6/c1-27(2,33)21(35)14-16-7-8-18-19-15-17-9-12-31(38)29(5,30(17,6)24(19)34-20(18)13-16)11-10-22-32(31)26(40-32)23(36)25(39-22)28(3,4)37/h7-8,13,17,21-23,25-26,34-38H,9-12,14-15H2,1-6H3/t17-,21-,22-,23+,25-,26+,29+,30+,31-,32-/m0/s1
InChIKey FNRSMNUHSXXDPE-YHCGHPBGSA-N
SMILES ClC([C@@H](O)CC1=CC=2NC=3[C@@]4([C@@]5([C@](O)([C@@]67O[C@@H]6[C@H](O)[C@H](O[C@H]7CC5)C(O)(C)C)CC[C@H]4CC3C2C=C1)C)C)(C)C
Metabolite of Species Details
Tolypocladium (NCBI:txid29909) See: PubMed
ChEBI Ontology
Outgoing Tolypocladin D (CHEBI:223051) is a organic heterotricyclic compound (CHEBI:26979)
Tolypocladin D (CHEBI:223051) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(1S,2R,5S,7S,8R,9R,11S,12S,15S)-21-[(2S)-3-chloro-2-hydroxy-3-methylbutyl]-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6,10-dioxa-24-azaheptacyclo[13.10.0.02,12.05,11.09,11.017,25.018,23]pentacosa-17(25),18(23),19,21-tetraene-8,12-diol