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calcitriol

Properties
MNX_IDMNXM726202
formulaC27H44O3
charge0
mass416.63646
referencemetacycM:CALCITRIOL
Image of MNXM726202
InChIKeyGMRQFYUYWCNGIN-DRQJEBLXSA-N
InChIInChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11+/t18-,22-,23-,24+,25+,27-/m1/s1
SMILESC[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1/C[C@@H](O)C[C@H](O)C1=C

Occurences in reactions

#reac
Distinct reactions in my sandbox 0
Distinct generic reactions in MNXref6
Distinct compatimentalized reactions in models0

Similar chemical compounds in external resources
IdentifierDescription
seedM:M_cpd01156 secondary/obsolete/fantasy identifier
seedM:cpd01156 Calcitriol
(1S,3R,5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol
1,25-dihydroxyvitamin D3
1-alpha-25-Dihydroxyvitamin D3
calcitriol
lipidmaps:LMST03020265 (5E)-1alpha,25-dihydroxyvitamin D3 / (5E)-1alpha,25-dihydroxycholecalciferol
(5E,7E)-(1S,3R)-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol
metacycM:CALCITRIOL calcitriol
(1S,3R,5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol
1,25-dihydroxyvitamin D3
MNXM1042is deprecated and replaced by MNXM726200 (calcitriol)
MNXM1042is deprecated and replaced by MNXM726201 ((1R,3S)-5-[2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol)
MNXM1042is deprecated and replaced by this entry
MNXM1042is deprecated and replaced by MNXM726203 (Calcitriol)
MNXM1042is deprecated and replaced by MNXM726204 (Calcitriol)
MNXM31262is deprecated and replaced by MNXM1042
MNXM723113is deprecated and replaced by MNXM1042
MNXM723271is deprecated and replaced by MNXM1042
MNXM90202is deprecated and replaced by MNXM1042
MNXM9599is deprecated and replaced by MNXM726200 (calcitriol)
MNXM9599is deprecated and replaced by MNXM726201 ((1R,3S)-5-[2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol)
MNXM9599is deprecated and replaced by this entry
MNXM9599is deprecated and replaced by MNXM726203 (Calcitriol)
MNXM9599is deprecated and replaced by MNXM726204 (Calcitriol)
MNXM96515is deprecated and replaced by MNXM1042