MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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(25R)-5beta-cholestane-3alpha,7alpha,12alpha,26-tetrol

	Properties	Image
MNX_ID	MNXM1104088
reference	chebi:48939
formula	C₂₇H₄₈O₄
global charge	0
mol weight	436.677
InChIKey	XJZGNVBLVFOSKJ-IUFSEJPUSA-N
InChI	InChI=1S/C27H48O4/c1-16(15-28)6-5-7-17(2)20-8-9-21-25-22(14-24(31)27(20,21)4)26(3)11-10-19(29)12-18(26)13-23(25)30/h16-25,28-31H,5-15H2,1-4H3/t16-,17-,18+,19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
SMILES	C[C@@H](CO)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C

MNX internals

InChI (mnx)	InChI=1/C27H48O4/c1-16(15-28)6-5-7-17(2)20-8-9-21-25-22(14-24(31)27(20,21)4)26(3)11-10-19(29)12-18(26)13-23(25)30/h16-25,28-31H,5-15H2,1-4H3/t16-,17-,18+,19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
SMILES (mnx)	[CH3:1][C@H:16]([CH2:6][CH2:5][CH2:7][C@@H:17]([CH3:2])[C@H:20]1[CH2:8][CH2:9][C@H:21]2[C@H:25]3[C@H:22]([CH2:14][C@H:24]([OH:31])[C@:27]12[CH3:4])[C@@:26]1([CH3:3])[CH2:11][CH2:10][C@@H:19]([OH:29])[CH2:12][C@H:18]1[CH2:13][C@H:23]3[OH:30])[CH2:15][OH:28]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	14
in models (compartimentalized)	10

Similar chemical compounds in external resources
Identifier	Description
CHEBI:48939 chebi:48939 SLM:000000431 slm:000000431 XJZGNVBLVFOSKJ-IUFSEJPUSA-N	(25R)-5beta-cholestane-3alpha,7alpha,12alpha,26-tetrol
metacyc.compound:5-BETA-CHOLESTANE-3-ALPHA7-TETRAOL metacycM:5-BETA-CHOLESTANE-3-ALPHA7-TETRAOL XJZGNVBLVFOSKJ-IUFSEJPUSA-N	(25R)-5beta-cholestane-3alpha,7alpha,12alpha,26-tetraol (3alpha,5beta,7alpha,12alpha)-cholestane-3,7,12,26-tetrol 3alpha,7alpha,12alpha,26-tetrahydroxy-5beta-cholestane 5beta-cholestane 3alpha,7alpha,12alpha,27-tetrol 5beta-cholestane-3alpha,7alpha,12alpha,26-tetraol 5beta-cholestane-3alpha,7alpha,12alpha,26-tetrol cholestane-3,7,12,26(27)-tetrol cholestane-3,7,12,27-tetrol
lipidmaps:LMST04030160 lipidmapsM:LMST04030160 XJZGNVBLVFOSKJ-IUFSEJPUSA-N	(25R)-5beta-cholestane-3alpha,7alpha,12alpha,26-tetrol (25R)-5beta-cholestane-3alpha,7alpha,12alpha,26-tetrol O4 ST 27:0
hmdb:HMDB0001231 XJZGNVBLVFOSKJ-XZULNKEGSA-N	27-Deoxy-5b-cyprinol (1S,2S,5R,7S,9R,10R,11S,14R,15R,16S)-14-[(2R)-7-hydroxy-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-5,9,16-triol (25R)-5-beta-Cholestane-3-alpha,7-alpha,12-alpha,26-tetraol (3a,5b,7a,12a)-Cholestane-3,7,12,26-tetrol (3alpha,5beta,7alpha,12alpha)-Cholestane-3,7,12,26-tetrol (3alpha,5beta,7alpha,12alpha)-cholestane-3,7,12,26-tetrol 3a,7a,12a,26-Tetrahydroxy-5b-cholestane 3alpha,7alpha,12alpha,26-Tetrahydroxy-5beta-cholestane 3alpha,7alpha,12alpha,26-tetrahydroxy-5beta-cholestane 5 beta-Cholestane-3alpha,7alpha,12alpha,26-tetrol 5-CTTL 5-b-Cholestane-3a-7-tetraol 5-beta-Cholestane-3-alpha-7-alpha-12-alpha-26-tetraol 5-beta-Cholestane-3a-7-tetraol 5-cttl 5b-Cholestane 3a,7a,12a,27-tetrol 5b-Cholestane-3a,7a,12a,26-tetraol 5b-Cholestane-3a,7a,12a,26-tetrol 5beta-Cholestane 3alpha,7alpha,12alpha,27-tetrol 5beta-Cholestane-3alpha,7alpha,12alpha,26-tetraol 5beta-Cholestane-3alpha,7alpha,12alpha,26-tetrol 5beta-Cholestane-3alpha,7alpha,12alpha,27-tetraol 5beta-Cholestane-3alpha,7alpha,12alpha,27-tetrol 5beta-Cholestane-3alpha,7alpha,12alpha,27alpha-tetrol 5beta-cholestane 3alpha,7alpha,12alpha,27-tetrol 5beta-cholestane-3alpha,7alpha,12alpha,26-tetraol 5beta-cholestane-3alpha,7alpha,12alpha,26-tetrol Cholestane-3,7,12,26(27)-tetrol Cholestane-3,7,12,26-tetrol Cholestane-3,7,12,26-tetrol, (3alpha,5alpha,7alpha,12alpha)-isomer Cholestane-3,7,12,27-tetrol
lipidmaps:LMST04030014 lipidmapsM:LMST04030014 XJZGNVBLVFOSKJ-XZULNKEGSA-N	27-Deoxy-5beta-cyprinol 3alpha,7alpha,12alpha,26-tetrahydroxy-5beta-cholestane 5beta-Cholestane-3alpha,7alpha,12alpha,26-tetrol O4 ST 27:0
bigg.metabolite:xoltetrol biggM:xoltetrol XJZGNVBLVFOSKJ-XZULNKEGSA-N	3alpha,7alpha,12alpha,26-Tetrahydroxy-5beta-cholestane
sabiork.compound:7918 sabiorkM:7918 kegg.compound:C05446 keggC:C05446 XJZGNVBLVFOSKJ-XZULNKEGSA-N	3alpha,7alpha,12alpha,26-Tetrahydroxy-5beta-cholestane 5beta-Cholestane-3alpha,7alpha,12alpha,26-tetraol 5beta-Cholestane-3alpha,7alpha,12alpha,26-tetrol
vmhM:M01092 vmhmetabolite:M01092 XJZGNVBLVFOSKJ-KZASEMEKSA-N	5Beta-Cholestane-3Alpha,7Alpha,12Alpha,27-Tetraol (1S,2S,5R,7S,9R,10R,11S,14R,15R,16S)-14-[(2R)-7-hydroxy-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-5,9,16-triol
seed.compound:cpd03229 seedM:cpd03229 XJZGNVBLVFOSKJ-IUFSEJPUSA-N	5beta-Cholestane-3alpha,7alpha,12alpha,26-tetrol (25R)-5beta-cholestane-3alpha,7alpha,12alpha,26-tetraol (3alpha,5beta,7alpha,12alpha)-cholestane-3,7,12,26-tetrol 3alpha,7alpha,12alpha,26-Tetrahydroxy-5beta-cholestane 3alpha,7alpha,12alpha,26-tetrahydroxy-5beta-cholestane 5beta-Cholestane-3alpha,7alpha,12alpha,26-tetraol 5beta-cholestane 3alpha,7alpha,12alpha,27-tetrol 5beta-cholestane-3alpha,7alpha,12alpha,26-tetraol 5beta-cholestane-3alpha,7alpha,12alpha,26-tetrol cholestane-3,7,12,26(27)-tetrol cholestane-3,7,12,27-tetrol
vmhM:xoltetrol vmhmetabolite:xoltetrol XJZGNVBLVFOSKJ-KZASEMEKSA-N	5beta-cholestane-3alpha,7alpha,12alpha,26-tetrol (1S,2S,5R,7S,9R,10R,11S,14R,15R,16S)-14-[(2R)-7-hydroxy-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-5,9,16-triol
reactome:R-ALL-192201 reactomeM:R-ALL-192201 reactome:R-ALL-193843 reactomeM:R-ALL-193843 CHEBI:17278 chebi:17278 XJZGNVBLVFOSKJ-XZULNKEGSA-N	5beta-cholestane-3alpha,7alpha,12alpha,26-tetrol (3alpha,5beta,7alpha,12alpha)-cholestane-3,7,12,26-tetrol 3alpha,7alpha,12alpha,26-Tetrahydroxy-5beta-cholestane 5beta-Cholestane-3alpha,7alpha,12alpha,26-tetraol 5beta-Cholestane-3alpha,7alpha,12alpha,26-tetrol 5beta-cholestane 3alpha,7alpha,12alpha,27-tetrol 5beta-cholestane-3alpha,7alpha,12alpha,26-tetraol cholestane-3,7,12,26(27)-tetrol cholestane-3,7,12,26-tetrol cholestane-3,7,12,27-tetrol
hmdb:HMDB0006264 hmdb:HMDB01231 hmdb:HMDB06264 chebi:12178 chebi:1692 chebi:20666 biggM:M_xoltetrol keggC:M_C05446 seedM:M_cpd03229 vmhM:M_M01092 vmhM:M_xoltetrol	secondary/obsolete/fantasy identifier