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ascr#23

PropertiesImage
MNX_IDMNXM152379 Image of MNXM152379
referencechebi:78961
formulaC20H36O6
global charge0
mol weight372.502
InChIKeyVZEGHYGOTDETNP-VKEQHCKMSA-N
InChIInChI=1S/C20H36O6/c1-15(25-20-18(22)14-17(21)16(2)26-20)12-10-8-6-4-3-5-7-9-11-13-19(23)24/h11,13,15-18,20-22H,3-10,12,14H2,1-2H3,(H,23,24)/b13-11+/t15-,16+,17-,18-,20-/m1/s1
SMILESC[C@H](CCCCCCCCC/C=C/C(=O)O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O
MNX internals
InChI (mnx)InChI=1/C20H36O6/c1-15(25-20-18(22)14-17(21)16(2)26-20)12-10-8-6-4-3-5-7-9-11-13-19(23)24/h11,13,15-18,20-22H,3-10,12,14H2,1-2H3,(H,23,24)/b13-11+/t15-,16+,17-,18-,20-/m1/s1 Image of MNXM152379
SMILES (mnx)[CH3:1][C@H:15]([CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]/[C:19](=[O:23])[OH:24])[O:25][C@H:20]1[C@H:18]([OH:22])[CH2:14][C@@H:17]([OH:21])[C@H:16]([CH3:2])[O:26]1
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:78961
chebi:78961
VZEGHYGOTDETNP-VKEQHCKMSA-N 		ascr#23
(2E,13R)-13-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]tetradec-2-enoic acid
13R-(3'R,5'R-dihydroxy-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-2E-tetradecenoic acid

CHEBI:139656
chebi:139656
VZEGHYGOTDETNP-VKEQHCKMSA-M 		ascr#23(1-)

lipidmaps:LMFA13040030
lipidmapsM:LMFA13040030
VZEGHYGOTDETNP-VKEQHCKMSA-N 		ascr#23
13R-(3'R,5'R-dihydroxy-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-2E-tetradecenoic acid
13R-(3,6-dideoxy-alpha-L-arabino-hexopyranosyloxy)-2E-tetradecenoic acid