CHEBI:31801 - Maxacalcitol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Maxacalcitol
ChEBI ID CHEBI:31801
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formulae C26H42O4
C26H42O4
Net Charge 0
Average Mass 418.610
Monoisotopic Mass 418.30831
InChI InChI=1S/C26H42O4/c1-17-20(15-21(27)16-24(17)28)9-8-19-7-6-12-26(5)22(10-11-23(19)26)18(2)30-14-13-25(3,4)29/h8-9,18,21-24,27-29H,1,6-7,10-16H2,2-5H3/b19-8+,20-9-/t18-,21+,22+,23-,24-,26+/m0/s1
InChIKey DTXXSJZBSTYZKE-ZDQKKZTESA-N
SMILES C[C@@]12[C@](/C(=C/C=C/3\C(=C)[C@@H](O)C[C@@H](C3)O)/CCC1)(CC[C@@]2([C@@H](OCCC(C)(C)O)C)[H])[H]
ChEBI Ontology
Outgoing Maxacalcitol (CHEBI:31801) is a organic molecular entity (CHEBI:50860)
Synonyms Sources
22-oxacalcitriol DrugCentral
Maxacalcitol KEGG COMPOUND
oxarol DrugCentral
Manual Xrefs Databases
1638 DrugCentral
D01098 KEGG DRUG
View more database links
Registry Number Type Source
103909-75-7 CAS Registry Number KEGG COMPOUND
Last Modified
22 February 2017