| Properties | Image |
|---|
| MNX_ID | MNXM31365 |
 |
| reference | lipidmapsM:LMST03020537 |
| formula | C35H49N3O3 |
| global charge | 0 |
| mol weight | 559.795 |
| InChIKey | UBHUZZQIZUIHDG-SDSGMYKVSA-N |
| InChI | InChI=1S/C35H49N3O3/c1-23(2)10-8-11-24(3)30-17-18-31-25(12-9-19-35(30,31)4)20-32-29-21-28(39)16-15-26(29)22-36-33(40)37(34(41)38(32)36)27-13-6-5-7-14-27/h5-7,13-14,20,23-24,28,30-32,39H,8-12,15-19,21-22H2,1-4H3/b25-20+/t24-,28+,30-,31+,32+,35-/m1/s1 |
| SMILES | CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2/C(=C/[C@H]3C4=C(CC[C@H](O)C4)CN4C(=O)N(C5=CC=CC=C5)C(=O)N34)CCC[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C35H49N3O3/c1-23(2)10-8-11-24(3)30-17-18-31-25(12-9-19-35(30,31)4)20-32-29-21-28(39)16-15-26(29)22-36-33(40)37(34(41)38(32)36)27-13-6-5-7-14-27/h5-7,13-14,20,23-24,28,30-32,39H,8-12,15-19,21-22H2,1-4H3/b25-20+/t24-,28+,30-,31+,32+,35-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:23]([CH3:2])[CH2:10][CH2:8][CH2:11][C@@H:24]([CH3:3])[C@H:30]1[CH2:17][CH2:18][C@H:31]2/[C:25](=[CH:20]/[C@H:32]3[C:29]4=[C:26]([CH2:15][CH2:16][C@H:28]([OH:39])[CH2:21]4)[CH2:22][N:36]4[C:33](=[O:40])[N:37]([C:27]5=[CH:13][CH:6]=[CH:5][CH:7]=[CH:14]5)[C:34](=[O:41])[N:38]34)[CH2:12][CH2:9][CH2:19][C@:35]12[CH3:4] |
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