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previtamin D3

MNXM12733 is deprecated and here replaced by MNXM727723
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM727723 Image of MNXM727723
referencechebi:8403
formulaC27H44O
global charge0
mol weight384.648
InChIKeyYUGCAAVRZWBXEQ-WHTXLNIXSA-N
InChIInChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h10,12-13,19,21,24-26,28H,6-9,11,14-18H2,1-5H3/b13-12-/t21-,24+,25-,26+,27-/m1/s1
SMILESCC1=C(/C=C\C2=CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]23)C[C@@H](O)CC1
MNX internals
InChI (mnx)InChI=1/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h10,12-13,19,21,24-26,28H,6-9,11,14-18H2,1-5H3/b13-12-/t21-,24+,25-,26+,27-/m1/s1 Image of MNXM727723
SMILES (mnx)[CH3:1][CH:19]([CH3:2])[CH2:8][CH2:6][CH2:9][C@@H:21]([CH3:4])[C@H:25]1[CH2:15][CH2:16][C@H:26]2[C:22](/[CH:12]=[CH:13]\[C:23]3=[C:20]([CH3:3])[CH2:11][CH2:14][C@H:24]([OH:28])[CH2:18]3)=[CH:10][CH2:7][CH2:17][C@:27]12[CH3:5]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)10
in models (compartimentalized) 4
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:8403
chebi:8403
YUGCAAVRZWBXEQ-WHTXLNIXSA-N 		previtamin D3
(3S,6Z)-9,10-secocholesta-5(10),6,8-trien-3-ol
(3beta,6Z)-9,10-secocholesta-5(10),6,8-trien-3-ol
(6Z)-(3S)-9,10-seco-5(10),6,8-cholestatrien-3-ol
(6Z)-tacalciol
pre-vitamin D3
precholecalciferol
previtamin D(3)

seed.compound:cpd04847
seedM:cpd04847
YUGCAAVRZWBXEQ-WHTXLNIXSA-N 		Previtamin D(3)
(6Z)-(3S)-9,10-seco-5(10), 6,8-cholestatrien-3-ol
Previtamin D3
pre-vitamin D3
previtamin D3

kegg.compound:C07711
keggC:C07711
YUGCAAVRZWBXEQ-WHTXLNIXSA-N 		Previtamin D(3)
Previtamin D3

bigg.metabolite:pd3
biggM:pd3
YUGCAAVRZWBXEQ-WHTXLNIXSA-N 		Previtamin D3
hmdb:HMDB0006500
YUGCAAVRZWBXEQ-WHTXLNIXSA-N 		Previtamin D3
(1S)-3-[(Z)-2-[(1R,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-4-methylcyclohex-3-en-1-ol
(1S)-3-[(Z)-2-[(1R,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,6,7,7a-hexahydro-1H-inden-4-yl]ethenyl]-4-methylcyclohex-3-en-1-ol
(3beta,6Z)-9,10-Secocholesta-5(10),6,8-trien-3-ol
(6Z)-(3S)-9,10-Seco-5(10),6,8-cholestatrien-3-ol
1,25-Dihydroxy-3-epi-19-nor-previtamin D3
14-Epi-19-nortachysterol
Precalciferol
Precholecalciferol
Previtamin D(3)
Previtamin D(3), (3alpha,6Z)-isomer
Previtamin D(3), (3beta,6E)-isomer
Previtamin d_3 / precholecalciferol / (6Z)-tacalciol
Tachysterol 3
Tachysterol(3)

vmhM:pd3
vmhmetabolite:pd3
YUGCAAVRZWBXEQ-QEYGBBHESA-N 		Previtamin D3
(1S)-3-[(Z)-2-[(1R,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,6,7,7a-hexahydro-1H-inden-4-yl]ethenyl]-4-methylcyclohex-3-en-1-ol

metacyc.compound:CPD-10570
metacycM:CPD-10570
YUGCAAVRZWBXEQ-WHTXLNIXSA-N 		pre-vitamin D3
(6Z)-(3S)-9,10-seco-5(10), 6,8-cholestatrien-3-ol
previtamin D3

lipidmaps:LMST03020222
lipidmapsM:LMST03020222
YUGCAAVRZWBXEQ-WHTXLNIXSA-N 		previtamin D3
(6Z)-(3S)-9,10-seco-5(10),6,8-cholestatrien-3-ol
(6Z)-tacalciol
precholecalciferol

hmdb:HMDB06500
biggM:M_pd3
keggC:M_C07711
seedM:M_cpd04847
vmhM:M_pd3 		secondary/obsolete/fantasy identifier