CHEBI:203073 - MK800-62F1

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 MK800-62F1
ChEBI ID CHEBI:203073
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C35H58O8
Net Charge 0
Average Mass 606.841
Monoisotopic Mass 606.41317
InChI InChI=1S/C35H58O8/c1-30(2)16-20-19-8-9-23-32(4)12-11-24(38)33(5,18-36)22(32)10-13-35(23,7)34(19,6)15-14-31(20,3)28(27(30)41)43-29-26(40)25(39)21(37)17-42-29/h8,20-29,36-41H,9-18H2,1-7H3/t20-,21-,22?,23?,24-,25-,26+,27-,28+,29-,31+,32-,33+,34+,35+/m0/s1
InChIKey HRCPDUWVAPWYLU-IOMUPYOPSA-N
SMILES O1[C@@H](O[C@H]2[C@]3([C@H](C4=CCC5[C@@]6(C([C@]([C@@H](O)CC6)(CO)C)CC[C@]5([C@]4(C)CC3)C)C)CC([C@H]2O)(C)C)C)[C@H](O)[C@@H](O)[C@H](C1)O
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing MK800-62F1 (CHEBI:203073) is a triterpenoid (CHEBI:36615)
IUPAC Name
(2S,3R,4S,5S)-2-[[(3R,4S,4aR,6aS,6bR,9S,10S,12aR,14bS)-3,10-dihydroxy-9-(hydroxymethyl)-2,2,4a,6a,6b,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4-yl]oxy]oxane-3,4,5-triol
Manual Xref Database
8897729 ChemSpider
View more database links