| Properties | Image |
MNX_ID | MNXM101435 |
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reference | lipidmapsM:LMFA02000073 |
formula | C18H34O4 |
global charge | 0 |
mol weight | 314.466 |
InChIKey | HOZXXUCYTNFXGO-VMEIHUARSA-N |
InChI | InChI=1S/C18H34O4/c1-2-3-14-17(22-21)15-12-10-8-6-4-5-7-9-11-13-16-18(19)20/h12,15,17,21H,2-11,13-14,16H2,1H3,(H,19,20)/b15-12+/t17-/m0/s1 |
SMILES | CCCC[C@@H](/C=C/CCCCCCCCCCC(=O)O)OO |
MNX internals
InChI (mnx) | InChI=1/C18H34O4/c1-2-3-14-17(22-21)15-12-10-8-6-4-5-7-9-11-13-16-18(19)20/h12,15,17,21H,2-11,13-14,16H2,1H3,(H,19,20)/b15-12+/t17-/m0/s1 |
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SMILES (mnx) | [CH3:1][CH2:2][CH2:3][CH2:14][C@@H:17](/[CH:15]=[CH:12]/[CH2:10][CH2:8][CH2:6][CH2:4][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:16][C:18](=[O:19])[OH:20])[O:22][OH:21] |
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