| Properties | Image |
|---|
| MNX_ID | MNXM158311 |
 |
| reference | lipidmapsM:LMSP02010095 |
| formula | C37H67NO4 |
| global charge | 0 |
| mol weight | 589.946 |
| InChIKey | WTKXLDJIBUCSPZ-OOXMFWFLSA-N |
| InChI | InChI=1S/C37H67NO4/c1-4-6-8-9-10-11-12-13-14-17-20-23-26-30-35(40)34(32-39)38-37(42)36(41)31-27-24-21-18-15-16-19-22-25-29-33(3)28-7-5-2/h12-14,17,26-27,30-31,33-36,39-41H,4-11,15-16,18-25,28-29,32H2,1-3H3,(H,38,42)/b13-12+,17-14+,30-26+,31-27+/t33?,34-,35+,36+/m0/s1 |
| SMILES | CCCCCCC/C=C/C=C/CC/C=C/[C@@H](O)[C@H](CO)NC(=O)[C@H](O)/C=C/CCCCCCCCCC(C)CCCC |
MNX internals
| InChI (mnx) | InChI=1/C37H67NO4/c1-4-6-8-9-10-11-12-13-14-17-20-23-26-30-35(40)34(32-39)38-37(42)36(41)31-27-24-21-18-15-16-19-22-25-29-33(3)28-7-5-2/h12-14,17,26-27,30-31,33-36,39-41H,4-11,15-16,18-25,28-29,32H2,1-3H3,(H,38,42)/b13-12+,17-14+,30-26+,31-27+/t33?,34-,35+,36+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH2:9][CH2:10][CH2:11]/[CH:12]=[CH:13]/[CH:14]=[CH:17]/[CH2:20][CH2:23]/[CH:26]=[CH:30]/[C@H:35]([C@H:34]([CH2:32][OH:39])[N:38]=[C:37]([C@@H:36](/[CH:31]=[CH:27]/[CH2:24][CH2:21][CH2:18][CH2:15][CH2:16][CH2:19][CH2:22][CH2:25][CH2:29][CH:33]([CH3:3])[CH2:28][CH2:7][CH2:5][CH3:2])[OH:41])[OH:42])[OH:40] |
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