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bhas#38

PropertiesImage
MNX_IDMNXM152808 Image of MNXM152808
referencechebi:79239
formulaC27H52O7
global charge0
mol weight488.706
InChIKeyLONSJLDZLUHCRR-LJNMJUOLSA-N
InChIInChI=1S/C27H52O7/c1-21(33-27-25(30)20-24(29)22(2)34-27)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-23(28)19-26(31)32/h21-25,27-30H,3-20H2,1-2H3,(H,31,32)/t21-,22+,23-,24-,25-,27-/m1/s1
SMILESC[C@H](CCCCCCCCCCCCCCCC[C@@H](O)CC(=O)O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O
MNX internals
InChI (mnx)InChI=1/C27H52O7/c1-21(33-27-25(30)20-24(29)22(2)34-27)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-23(28)19-26(31)32/h21-25,27-30H,3-20H2,1-2H3,(H,31,32)/t21-,22+,23-,24-,25-,27-/m1/s1 Image of MNXM152808
SMILES (mnx)[CH3:1][C@H:21]([CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH2:3][CH2:4][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][C@H:23]([CH2:19][C:26](=[O:31])[OH:32])[OH:28])[O:33][C@H:27]1[C@H:25]([OH:30])[CH2:20][C@@H:24]([OH:29])[C@H:22]([CH3:2])[O:34]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:79239
chebi:79239
LONSJLDZLUHCRR-LJNMJUOLSA-N 		bhas#38
(3R,20R)-20-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]-3-hydroxyheneicosanoic acid
(3R,20R)-20-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]-3-hydroxyhenicosanoic acid
3R-hydroxy-20R-(3'R,5'R-dihydroxy-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-heneicosanoic acid
3R-hydroxy-20R-(3'R,5'R-dihydroxy-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-henicosanoic acid

CHEBI:139765
chebi:139765
LONSJLDZLUHCRR-LJNMJUOLSA-M 		bhas#38(1-)

lipidmaps:LMFA13040042
lipidmapsM:LMFA13040042
LONSJLDZLUHCRR-LJNMJUOLSA-N 		bhas#38
3R-hydroxy-20R-(3'R,5'R-dihydroxy-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-henicosanoic acid
3R-hydroxy-20R-(3,6-dideoxy-alpha-L-arabino-hexopyranosyloxy)-heneicosanoic acid