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

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solanidine

	Properties	Image
MNX_ID	MNXM7774
reference	chebi:166996
formula	C₂₇H₄₄NO
global charge	1
mol weight	398.655
InChIKey	JVKYZPBMZPJNAJ-OQFNDJACSA-O
InChI	InChI=1S/C27H43NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,29H,5,7-15H2,1-4H3/p+1/t16-,17+,19-,20+,21-,22-,23+,24-,25-,26-,27-/m0/s1
SMILES	C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)[NH+]2C1

MNX internals

InChI (mnx)	InChI=1/C27H43NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,29H,5,7-15H2,1-4H3/t16-,17+,19-,20+,21-,22-,23+,24-,25-,26-,27-/m0/s1
SMILES (mnx)	[CH3:1][C@H:16]1[CH2:5][CH2:8][C@@H:23]2[C@@H:17]([CH3:2])[C@H:25]3[C@H:24]([CH2:14][C@H:22]4[C@@H:20]5[CH2:7][CH:6]=[C:18]6[CH2:13][C@@H:19]([OH:29])[CH2:9][CH2:11][C@:26]6([CH3:3])[C@H:21]5[CH2:10][CH2:12][C@@:27]43[CH3:4])[N:28]2[CH2:15]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:166996 chebi:166996 JVKYZPBMZPJNAJ-OQFNDJACSA-O	solanidine 3beta-hydroxysolanid-5-en-28-ium solanidine cation solanidine(1+)
kegg.compound:C06543 keggC:C06543 JVKYZPBMZPJNAJ-OQFNDJACSA-N	Solanidine
hmdb:HMDB0003236 JVKYZPBMZPJNAJ-OQFNDJACSA-N	Solanidine (-)-Solanidine (1S,2S,7S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²³.0¹⁷,²²]tetracos-4-en-7-ol (22R,25S)-Solanidanine (22R,25S)-Solanidine (2S,4AR,4BS,6as,6BR,7S,7ar,10S,12as,13as,13BS)-4a,6a,7,10-tetramethyl-2,3,4,4a,4b,5,6,6a,6b,7,7a,8,9,10,11,12a,13,13a,13b,14-icosahydro-1H-naphtho[2',1':4,5]indeno[1,2-b]indolizin-2-ol (3b)-Solanid-5-en-3-ol (3beta)-Solanid-5-en-3-ol (3beta)-solanid-5-en-3-ol 22R,25S-Solanidanine 22R,25S-Solanidine 3-b-Solanid-5-en-3-ol 3-b-Solanid-5-en-3-ol(9CL) 3-beta-Solanid-5-en-3-ol 3-beta-Solanid-5-en-3-ol(9CL) 3-beta-solanid-5-en-3-ol Solanid-5-en-3-b-ol Solanid-5-en-3-beta-ol Solanid-5-en-3-ol Solanid-5-en-3-ol (acd/name 4.0) Solanid-5-en-3.beta.-ol Solanid-5-en-3b-ol Solanid-5-en-3beta-ol Solanid-5-en-3beta-ol(8ci) Solanidin Solatubin Solatubine solanidine
seed.compound:cpd03952 seedM:cpd03952 JVKYZPBMZPJNAJ-OQFNDJACSA-O	Solanidine 3-beta-Solanid-5-en-3-ol Solanid-5-en-3beta-ol Solatubine solanidin solanidine
lipidmaps:LMST01150007 lipidmapsM:LMST01150007 JVKYZPBMZPJNAJ-OQFNDJACSA-N	Solanidine solanid-5-en-3beta-ol
CHEBI:28374 chebi:28374 JVKYZPBMZPJNAJ-OQFNDJACSA-N	solanidine (-)-solanidine (22R,25S)-solanidanine (22R,25S)-solanidine (2S,4aR,4bS,6aS,6bR,7S,7aR,10S,12aS,13aS,13bS)-4a,6a,7,10-tetramethyl-2,3,4,4a,4b,5,6,6a,6b,7,7a,8,9,10,11,12a,13,13a,13b,14-icosahydro-1H-naphtho[2',1':4,5]indeno[1,2-b]indolizin-2-ol (3beta)-solanid-5-en-3-ol 3-beta-solanid-5-en-3-ol solanid-5-en-3-beta-ol solanid-5-en-3beta-ol solanidin solatubin solatubine
metacyc.compound:CPD-9217 metacycM:CPD-9217 JVKYZPBMZPJNAJ-OQFNDJACSA-O	solanidine (3beta)-solanid-5-en-3-ol solanid-5-en-3beta-ol solanidin solatubine
hmdb:HMDB03236 chebi:26720 chebi:9187 keggC:M_C06543 seedM:M_cpd03952	secondary/obsolete/fantasy identifier