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25-hydroxyvitamin D2

PropertiesImage
MNX_IDMNXM734758 Image of MNXM734758
referencechebi:86319
formulaC28H44O2
global charge0
mol weight412.658
InChIKeyKJKIIUAXZGLUND-ICCVIKJNSA-N
InChIInChI=1S/C28H44O2/c1-19-10-14-24(29)18-23(19)13-12-22-8-7-17-28(6)25(15-16-26(22)28)20(2)9-11-21(3)27(4,5)30/h9,11-13,20-21,24-26,29-30H,1,7-8,10,14-18H2,2-6H3/b11-9+,22-12+,23-13-/t20-,21+,24+,25-,26+,28-/m1/s1
SMILESC=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)(C)O)CC[C@@H]12
MNX internals
InChI (mnx)InChI=1/C28H44O2/c1-19-10-14-24(29)18-23(19)13-12-22-8-7-17-28(6)25(15-16-26(22)28)20(2)9-11-21(3)27(4,5)30/h9,11-13,20-21,24-26,29-30H,1,7-8,10,14-18H2,2-6H3/b11-9+,22-12+,23-13-/t20-,21+,24+,25-,26+,28-/m1/s1 Image of MNXM734758
SMILES (mnx)[CH2:1]=[C:19]1[CH2:10][CH2:14][C@H:24]([OH:29])[CH2:18]/[C:23]1=[CH:13]/[CH:12]=[C:22]1\[CH2:8][CH2:7][CH2:17][C@:28]2([CH3:6])[C@@H:25]([C@H:20]([CH3:2])/[CH:9]=[CH:11]/[C@H:21]([CH3:3])[C:27]([CH3:4])([CH3:5])[OH:30])[CH2:15][CH2:16][C@@H:26]12
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 9
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:86319
chebi:86319
KJKIIUAXZGLUND-ICCVIKJNSA-N 		25-hydroxyvitamin D2
(3S,5Z,7E,22E)-9,10-secoergosta-5,7,10,22-tetraene-3,25-diol
25-Hydroxycalciferol
25-hydroxyergocalciferol
9,10-secoergosta-5,7,10(19),22-tetraene-3beta,25-diol
ercalcidiol

bigg.metabolite:25hvitd2
biggM:25hvitd2
sabiork.compound:28533
sabiorkM:28533
KJKIIUAXZGLUND-BJWBXCNSSA-N
KJKIIUAXZGLUND-ICCVIKJNSA-N 		25-Hydroxyvitamin D2

vmhM:25hvitd2
vmhmetabolite:25hvitd2
KJKIIUAXZGLUND-BJWBXCNSSA-N 		25-Hydroxyvitamin D2
(1S,3Z)-3-{2-[(3aS,4E,7aR)-1-[(2R,3E,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexan-1-ol
hmdb:HMDB0001438
KJKIIUAXZGLUND-BJWBXCNSSA-N 		25-Hydroxyvitamin D2
(1S,3Z)-3-{2-[(3aS,4E,7aR)-1-[(2R,3E,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexan-1-ol
25 Hydroxycalciferol
25 Hydroxyergocalciferol
25 Hydroxyvitamin D 2
25 Hydroxyvitamin D2
25-Hydroxycalciferol
25-Hydroxyergocalciferol
25-Hydroxyvitamin D
25-Hydroxyvitamin D 2
25-hydroxyvitamin D
9,10-Secoergosta-5,7,10(19),22-tetraene-3 beta,25-diol
9,10-Secoergosta-5,7,10(19),22-tetraene-3b,25-diol
Ercalcidiol

SLM:000485671
slm:000485671
KJKIIUAXZGLUND-ICCVIKJNSA-N 		25-hydroxyvitamin D2

lipidmaps:LMST03010030
lipidmapsM:LMST03010030
KJKIIUAXZGLUND-ICCVIKJNSA-N 		25-hydroxyvitamin D2
(5Z,7E,22E)-(3S)-9,10-seco-5,7,10(19),22-ergostatetraene-3,25-diol
25-hydroxyergocalciferol

hmdb:HMDB01438
biggM:M_25hvitd2
vmhM:M_25hvitd2 		secondary/obsolete/fantasy identifier