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bacteriohopane-32,33,34,35-tetrol

MNXM43258 is deprecated and here replaced by MNXM736035
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM736035 Image of MNXM736035
referencechebi:132468
formulaC35H62O4
global charge0
mol weight546.877
InChIKeyJMKBTQYGOKJMBJ-ZQPPIKFSSA-N
InChIInChI=1S/C35H62O4/c1-22(9-10-25(37)30(39)26(38)21-36)23-13-18-32(4)24(23)14-19-34(6)28(32)11-12-29-33(5)17-8-16-31(2,3)27(33)15-20-35(29,34)7/h22-30,36-39H,8-21H2,1-7H3/t22-,23-,24+,25-,26+,27+,28-,29-,30-,32+,33+,34-,35-/m1/s1
SMILESC[C@H](CC[C@@H](O)[C@@H](O)[C@@H](O)CO)[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@H]12
MNX internals
InChI (mnx)InChI=1/C35H62O4/c1-22(9-10-25(37)30(39)26(38)21-36)23-13-18-32(4)24(23)14-19-34(6)28(32)11-12-29-33(5)17-8-16-31(2,3)27(33)15-20-35(29,34)7/h22-30,36-39H,8-21H2,1-7H3/t22-,23-,24+,25-,26+,27+,28-,29-,30-,32+,33+,34-,35-/m1/s1 Image of MNXM736035
SMILES (mnx)[CH3:1][C@H:22]([CH2:9][CH2:10][C@H:25]([C@H:30]([C@H:26]([CH2:21][OH:36])[OH:38])[OH:39])[OH:37])[C@H:23]1[CH2:13][CH2:18][C@@:32]2([CH3:4])[C@H:24]1[CH2:14][CH2:19][C@:34]1([CH3:6])[C@@H:28]2[CH2:11][CH2:12][C@@H:29]2[C@@:33]3([CH3:5])[CH2:17][CH2:8][CH2:16][C:31]([CH3:2])([CH3:3])[C@@H:27]3[CH2:15][CH2:20][C@:35]21[CH3:7]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:132468
chebi:132468
JMKBTQYGOKJMBJ-ZQPPIKFSSA-N 		bacteriohopane-32,33,34,35-tetrol
(2S,3S,4R,7R)-7-[(3R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethylicosahydro-1H-cyclopenta[a]chrysen-3-yl]octane-1,2,3,4-tetrol
(32R,33R,34S)-32,33,34,35-bacteriohopanetetrol
32,33,34,35-bacteriohopanetetrol
Bacteriohopanetetrol
Tetrahydroxybacteriohopane

kegg.compound:C21119
keggC:C21119
JMKBTQYGOKJMBJ-ZQPPIKFSSA-N 		Bacteriohopanetetrol
Bacteriohopane-32,33,34,35-tetrol
Tetrahydroxybacteriohopane

keggC:M_C21119 		secondary/obsolete/fantasy identifier