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Glycohyodeoxycholic acid

PropertiesImage
MNX_IDMNXM1128472 Image of MNXM1128472
referencechebi:166732
formulaC26H43NO5
global charge0
mol weight449.632
InChIKeySPOIYSFQOFYOFZ-BRDORRHWSA-N
InChIInChI=1S/C26H43NO5/c1-15(4-7-23(30)27-14-24(31)32)18-5-6-19-17-13-22(29)21-12-16(28)8-10-26(21,3)20(17)9-11-25(18,19)2/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16-,17+,18-,19+,20+,21+,22+,25-,26-/m1/s1
SMILESC[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MNX internals
InChI (mnx)InChI=1/C26H43NO5/c1-15(4-7-23(30)27-14-24(31)32)18-5-6-19-17-13-22(29)21-12-16(28)8-10-26(21,3)20(17)9-11-25(18,19)2/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16-,17+,18-,19+,20+,21+,22+,25-,26-/m1/s1 Image of MNXM1128472
SMILES (mnx)[CH3:1][C@H:15]([CH2:4][CH2:7][C:23](=[N:27][CH2:14][C:24](=[O:31])[OH:32])[OH:30])[C@H:18]1[CH2:5][CH2:6][C@H:19]2[C@@H:17]3[CH2:13][C@H:22]([OH:29])[C@@H:21]4[CH2:12][C@H:16]([OH:28])[CH2:8][CH2:10][C@:26]4([CH3:3])[C@H:20]3[CH2:9][CH2:11][C@:25]12[CH3:2]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:166732
chebi:166732
SPOIYSFQOFYOFZ-BRDORRHWSA-N 		Glycohyodeoxycholic acid
2-[[(4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid
hmdb:HMDB0304944
SPOIYSFQOFYOFZ-UHFFFAOYSA-N 		Glycohyodeoxycholic acid
2-(4-{5,8-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl}pentanamido)acetic acid
2-[(4-{5,8-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl}-1-hydroxypentylidene)amino]acetate
glycohyodeoxycholic acid

lipidmaps:LMST05030023
lipidmapsM:LMST05030023
SPOIYSFQOFYOFZ-BRDORRHWSA-N 		Glycohyodeoxycholic acid
GHDCA
Gly
Glycine hyodeoxycholate
N-(3alpha,6alpha-Dihydroxy-5beta-cholan-24-oyl)-glycine
O3
ST 24:1

CHEBI:181126
chebi:181126
SPOIYSFQOFYOFZ-UHFFFAOYSA-N 		Hyodeoxycholylglycine
2-[4-(3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoylamino]acetic acid

metacyc.compound:CPD-25829
metacycM:CPD-25829
SPOIYSFQOFYOFZ-BRDORRHWSA-M 		glycohyodeoxycholate
2-[[(4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid
glycohyodeoxycholic acid