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18R-hydroxy leukotriene B4 glucuronide

PropertiesImage
MNX_IDMNXM1592445 Image of MNXM1592445
referencevmhM:18rhltb4g
vmhM:18rhltb4g
formulaC26H39O11
global charge-1
mol weight527.587
InChIKeyMVTXEGQXOBBUMU-XUMQNDAJSA-M
InChIInChI=1S/C26H40O11/c1-2-17(27)11-8-5-9-14-18(28)12-6-3-4-7-13-19(29)15-10-16-20(30)36-26-23(33)21(31)22(32)24(37-26)25(34)35/h3-7,9,12-13,17-19,21-24,26-29,31-33H,2,8,10-11,14-16H2,1H3,(H,34,35)/p-1/b4-3+,9-5-,12-6+,13-7-/t17-,18+,19-,21+,22+,23-,24+,26-/m1/s1
SMILESCC[C@@H](O)CC/C=C\C[C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C26H40O11/c1-2-17(27)11-8-5-9-14-18(28)12-6-3-4-7-13-19(29)15-10-16-20(30)36-26-23(33)21(31)22(32)24(37-26)25(34)35/h3-7,9,12-13,17-19,21-24,26-29,31-33H,2,8,10-11,14-16H2,1H3,(H,34,35)/b4-3+,9-5-,12-6+,13-7-/t17-,18+,19-,21+,22+,23-,24+,26-/m1/s1 Image of MNXM1592445
SMILES (mnx)[CH3:1][CH2:2][C@H:17]([CH2:11][CH2:8]/[CH:5]=[CH:9]\[CH2:14][C@H:18](/[CH:12]=[CH:6]/[CH:3]=[CH:4]/[CH:7]=[CH:13]\[C@H:19]([CH2:15][CH2:10][CH2:16][C:20](=[O:30])[O:36][C@H:26]1[C@H:23]([OH:33])[C@@H:21]([OH:31])[C@H:22]([OH:32])[C@@H:24]([C:25]([OH:34])=[O:35])[O:37]1)[OH:29])[OH:28])[OH:27]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

vmhM:18rhltb4g
vmhM:18rhltb4g
vmhmetabolite:18rhltb4g
vmhmetabolite:18rhltb4g
MVTXEGQXOBBUMU-XUMQNDAJSA-M
18R-hydroxy leukotriene B4 glucuronide

vmhM:M_18rhltb4g
secondary/obsolete/fantasy identifier