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7Alpha,24-Dihydroxycholest-4-En-3-One

MNXM30757 is deprecated and here replaced by MNXM1363730
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1363730 Image of MNXM1363730
referencebiggM:M00978
formulaC27H44O3
global charge0
mol weight416.646
InChIKeyLFFHZNXDGBQZCO-PXNWSTMDSA-N
InChIInChI=1S/C27H44O3/c1-16(2)23(29)9-6-17(3)20-7-8-21-25-22(11-13-27(20,21)5)26(4)12-10-19(28)14-18(26)15-24(25)30/h14,16-17,20-25,29-30H,6-13,15H2,1-5H3/t17-,20?,21?,22?,23?,24-,25?,26+,27-/m1/s1
SMILESCC(C)C(O)CC[C@@H](C)C1CCC2C3C(CC[C@@]21C)[C@@]1(C)CCC(=O)C=C1C[C@H]3O
MNX internals
InChI (mnx)InChI=1/C27H44O3/c1-16(2)23(29)9-6-17(3)20-7-8-21-25-22(11-13-27(20,21)5)26(4)12-10-19(28)14-18(26)15-24(25)30/h14,16-17,20-25,29-30H,6-13,15H2,1-5H3/t17-,20?,21?,22?,23?,24-,25?,26+,27-/m1/s1 Image of MNXM1363730
SMILES (mnx)[CH3:1][CH:16]([CH3:2])[CH:23]([CH2:9][CH2:6][C@@H:17]([CH3:3])[CH:20]1[CH2:7][CH2:8][CH:21]2[CH:25]3[CH:22]([CH2:11][CH2:13][C@:27]12[CH3:5])[C@@:26]1([CH3:4])[CH2:12][CH2:10][C:19](=[O:28])[CH:14]=[C:18]1[CH2:15][C@H:24]3[OH:30])[OH:29]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:M00978
biggM:M00978
LFFHZNXDGBQZCO-PXNWSTMDSA-N 		7Alpha,24-Dihydroxycholest-4-En-3-One
hmdb:HMDB0012457
LFFHZNXDGBQZCO-PXNWSTMDSA-N 		7 alpha,24-Dihydroxy-4-cholesten-3-one
(2R,9R,15R)-9-hydroxy-14-[(2R)-5-hydroxy-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-5-one
1-(11Z,14Z-Eicosadienoyl)-2-(11Z-octadecenoyl)-sn-glycero-3-phosphocholine
1-Eicosadienoyl-2-vaccenoyl-sn-glycero-3-phosphocholine
7 a,24-Dihydroxy-4-cholesten-3-one
7 alpha,24-dihydroxy-4-cholesten-3-one
GPCho(20:2/18:1)
GPCho(38:3)
Lecithin
PC(20:2/18:1)
PC(38:3)
Phosphatidylcholine(20:2/18:1)
Phosphatidylcholine(38:3)

hmdb:HMDB12457
biggM:M_M00978 		secondary/obsolete/fantasy identifier