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glycyrrhetinate

MNXM4003 is deprecated and here replaced by MNXM1365666
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1365666 Image of MNXM1365666
referencechebi:17573
formulaC30H45O4
global charge-1
mol weight469.686
InChIKeyMPDGHEJMBKOTSU-YKLVYJNSSA-M
InChIInChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/p-1/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1
SMILESCC1(C)[C@@H](O)CC[C@]2(C)[C@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)[O-])CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12
MNX internals
InChI (mnx)InChI=1/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1 Image of MNXM1365666
SMILES (mnx)[CH3:1][C:25]1([CH3:2])[C@@H:21]2[CH2:8][CH2:11][C@:30]3([CH3:7])[C@H:23]([C:20](=[O:31])[CH:16]=[C:18]4[C@@H:19]5[CH2:17][C@@:27]([CH3:4])([C:24](=[O:33])[OH:34])[CH2:13][CH2:12][C@:26]5([CH3:3])[CH2:14][CH2:15][C@:29]43[CH3:6])[C@@:28]2([CH3:5])[CH2:10][CH2:9][C@@H:22]1[OH:32]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)15
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:17573
chebi:17573
MPDGHEJMBKOTSU-YKLVYJNSSA-M 		glycyrrhetinate
3beta-hydroxy-11-oxoolean-12-en-30-oate
Glycyrrhetinate

seed.compound:cpd34106
seedM:cpd34106
MPDGHEJMBKOTSU-VOPRYAMFSA-M 		3-beta-hydroxyglycyrrhetinate
enoxolone
glycyrrhetin
uralenic acid

vmhM:enoxoln
vmhmetabolite:enoxoln
MPDGHEJMBKOTSU-YKLVYJNSSA-N 		Enoxolone
(2S,4aS,6aS,6bR,10S,12aS)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid

seed.compound:cpd01537
seedM:cpd01537
MPDGHEJMBKOTSU-YKLVYJNSSA-M 		Enoxolone
3-beta-hydroxyglycyrrhetinate
Glycyrrhetinate
Glycyrrhetinic acid
Glycyrrhetinic_acid
glycyrrhetinate
glycyrrhetinic acid

kegg.compound:C02283
keggC:C02283
MPDGHEJMBKOTSU-YKLVYJNSSA-N 		Glycyrrhetinate
Enoxolone
Glycyrrhetinic acid

kegg.drug:D00156
keggD:D00156
MPDGHEJMBKOTSU-YKLVYJNSSA-N 		Glycyrrhetinic acid (JAN)
Enoxolone (INN)
Hidermart (TN)

lipidmaps:LMPR0106150014
lipidmapsM:LMPR0106150014
MPDGHEJMBKOTSU-YKLVYJNSSA-N 		Glycyrrhetinic acid
3-beta-Hydroxy-11-oxoolean-12-en-30-oic acid
Enoxolone
Uralenic acid
glycyrrhetic acid

metacyc.compound:CPD-14483
metacycM:CPD-14483
MPDGHEJMBKOTSU-VOPRYAMFSA-M 		glycyrrhetinate
3-beta-hydroxyglycyrrhetinate
enoxolone
glycyrrhetin
glycyrrhetinic acid
uralenic acid

CHEBI:30853
chebi:30853
MPDGHEJMBKOTSU-YKLVYJNSSA-N 		glycyrrhetinic acid
18beta-glycyrrhetic acid
3beta-hydroxy-11-oxoolean-12-en-30-oic acid
Enoxolone
Glycyrrhetinic acid

chebi:14366
chebi:24415
chebi:24417
chebi:5507
keggC:M_C02283
keggD:M_D00156
seedM:M_cpd01537
seedM:M_cpd34106
vmhM:M_enoxoln 		secondary/obsolete/fantasy identifier