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11-Dehydro-TXB3

PropertiesImage
MNX_IDMNXM33109 Image of MNXM33109
referencechebi:165347
formulaC20H30O6
global charge0
mol weight366.454
InChIKeyOAHMLWQISGEXBB-XMEKLSCHSA-N
InChIInChI=1S/C20H30O6/c1-2-3-6-9-15(21)12-13-18-16(17(22)14-20(25)26-18)10-7-4-5-8-11-19(23)24/h3-4,6-7,12-13,15-18,21-22H,2,5,8-11,14H2,1H3,(H,23,24)/b6-3-,7-4-,13-12+/t15-,16-,17-,18+/m0/s1
SMILESCC/C=C\C[C@H](O)/C=C/[C@H]1OC(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O
MNX internals
InChI (mnx)InChI=1/C20H30O6/c1-2-3-6-9-15(21)12-13-18-16(17(22)14-20(25)26-18)10-7-4-5-8-11-19(23)24/h3-4,6-7,12-13,15-18,21-22H,2,5,8-11,14H2,1H3,(H,23,24)/b6-3-,7-4-,13-12+/t15-,16-,17-,18+/m0/s1 Image of MNXM33109
SMILES (mnx)[CH3:1][CH2:2]/[CH:3]=[CH:6]\[CH2:9][C@@H:15](/[CH:12]=[CH:13]/[C@@H:18]1[C@@H:16]([CH2:10]/[CH:7]=[CH:4]\[CH2:5][CH2:8][CH2:11][C:19](=[O:23])[OH:24])[C@@H:17]([OH:22])[CH2:14][C:20](=[O:25])[O:26]1)[OH:21]
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:165347
chebi:165347
OAHMLWQISGEXBB-XMEKLSCHSA-N 		11-Dehydro-TXB3
(Z)-7-[(2R,3S,4S)-4-hydroxy-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]-6-oxooxan-3-yl]hept-5-enoic acid

lipidmaps:LMFA03030009
lipidmapsM:LMFA03030009
OAHMLWQISGEXBB-XMEKLSCHSA-N 		11-dehydro-TXB3
11-dehydro-Thromboxane B3
9S,15S-dihydroxy-11-oxo-thromboxa-5Z,13E,17Z-trienoic acid
FA 20:5
O4