Marvin 11181017092D 18 17 0 0 0 0 999 V2000 3.8058 -21.0278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8058 -21.8528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0912 -20.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0912 -22.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3768 -21.0278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3768 -21.8528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2348 -21.0278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2348 -21.8528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5202 -20.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5202 -22.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6638 -21.0278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6638 -21.8528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9492 -20.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9492 -22.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3782 -20.6153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3782 -22.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0927 -21.0277 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.3782 -19.7903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 1 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 1 9 1 0 0 0 0 2 10 1 0 0 0 0 13 11 1 0 0 0 0 14 12 1 0 0 0 0 7 13 1 0 0 0 0 8 14 1 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 2 0 0 0 0 M CHG 1 17 -1 M END > CHEBI:7896 > hexadecanoate > A long-chain fatty acid anion that is the conjugate base of hexadecanoic acid (palmitic acid); major species at pH 7.3. > 3 > CHEBI:231736 > pentadecanecarboxylate; palmitate; n-hexadecoate; n-hexadecanoate; Hexadecanoic acid, ion(1-); hexadecanoate; CH3-[CH2]14-COO(-); 1-pentadecanecarboxylate; 1-hexyldecanoate; (16:0) > hexadecanoate > C16H31O2 > 255.41610 > 255.23295 > -1 > CCCCCCCCCCCCCCCC([O-])=O > InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)/p-1 > IPCSVZSSVZVIGE-UHFFFAOYSA-M > 3589907 > 143-20-4 > 344266 > 3589907 > 143-20-4 > PALMITATE $$$$