| Properties | Image |
|---|
| MNX_ID | MNXM68829 |
 |
| reference | lipidmapsM:LMSL03001034 |
| formula | C142H264O16 |
| global charge | 0 |
| mol weight | 2227.658 |
| InChIKey | XJRCRKPAYKMWKI-RNVMZBBYSA-N |
| InChI | InChI=1S/C142H264O16/c1-18-23-28-33-38-43-48-53-58-61-64-68-72-77-82-87-92-97-102-117(7)107-121(11)111-125(15)138(148)155-133-128(114-143)152-141(135(132(133)146)157-140(150)127(17)113-123(13)109-119(9)104-99-94-89-84-79-74-70-66-63-60-55-50-45-40-35-30-25-20-3)158-142-136(154-130(144)105-100-95-90-85-80-75-67-56-51-46-41-36-31-26-21-4)134(156-139(149)126(16)112-122(12)108-118(8)103-98-93-88-83-78-73-69-65-62-59-54-49-44-39-34-29-24-19-2)131(145)129(153-142)115-151-137(147)124(14)110-120(10)106-116(6)101-96-91-86-81-76-71-57-52-47-42-37-32-27-22-5/h110-113,116-123,128-129,131-136,141-143,145-146H,18-109,114-115H2,1-17H3/b124-110+,125-111+,126-112+,127-113+/t116-,117-,118-,119-,120-,121-,122-,123-,128+,129+,131+,132-,133+,134-,135+,136+,141+,142+/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCCC[C@H](C)C[C@H](C)/C=C(\C)C(=O)O[C@H]1[C@@H](O[C@H]2O[C@H](COC(=O)/C(C)=C/[C@@H](C)C[C@@H](C)CCCCCCCCCCCCCCCC)[C@@H](O)[C@H](OC(=O)/C(C)=C/[C@@H](C)C[C@@H](C)CCCCCCCCCCCCCCCCCCCC)[C@H]2OC(=O)CCCCCCCCCCCCCCCCC)O[C@H](CO)[C@@H](OC(=O)/C(C)=C/[C@@H](C)C[C@@H](C)CCCCCCCCCCCCCCCCCCCC)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C142H264O16/c1-18-23-28-33-38-43-48-53-58-61-64-68-72-77-82-87-92-97-102-117(7)107-121(11)111-125(15)138(148)155-133-128(114-143)152-141(135(132(133)146)157-140(150)127(17)113-123(13)109-119(9)104-99-94-89-84-79-74-70-66-63-60-55-50-45-40-35-30-25-20-3)158-142-136(154-130(144)105-100-95-90-85-80-75-67-56-51-46-41-36-31-26-21-4)134(156-139(149)126(16)112-122(12)108-118(8)103-98-93-88-83-78-73-69-65-62-59-54-49-44-39-34-29-24-19-2)131(145)129(153-142)115-151-137(147)124(14)110-120(10)106-116(6)101-96-91-86-81-76-71-57-52-47-42-37-32-27-22-5/h110-113,116-123,128-129,131-136,141-143,145-146H,18-109,114-115H2,1-17H3/b124-110+,125-111+,126-112+,127-113+/t116-,117-,118-,119-,120-,121-,122-,123-,128+,129+,131+,132-,133+,134-,135+,136+,141+,142+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:18][CH2:23][CH2:28][CH2:33][CH2:38][CH2:43][CH2:48][CH2:53][CH2:58][CH2:61][CH2:64][CH2:68][CH2:72][CH2:77][CH2:82][CH2:87][CH2:92][CH2:97][CH2:102][C@H:117]([CH3:7])[CH2:107][C@H:121]([CH3:11])/[CH:111]=[C:125](\[CH3:15])[C:138](=[O:148])[O:155][C@@H:133]1[C@@H:128]([CH2:114][OH:143])[O:152][C@H:141]([O:158][C@@H:142]2[C@H:136]([O:154][C:130]([CH2:105][CH2:100][CH2:95][CH2:90][CH2:85][CH2:80][CH2:75][CH2:67][CH2:56][CH2:51][CH2:46][CH2:41][CH2:36][CH2:31][CH2:26][CH2:21][CH3:4])=[O:144])[C@@H:134]([O:156][C:139](/[C:126]([CH3:16])=[CH:112]/[C@@H:122]([CH3:12])[CH2:108][C@@H:118]([CH3:8])[CH2:103][CH2:98][CH2:93][CH2:88][CH2:83][CH2:78][CH2:73][CH2:69][CH2:65][CH2:62][CH2:59][CH2:54][CH2:49][CH2:44][CH2:39][CH2:34][CH2:29][CH2:24][CH2:19][CH3:2])=[O:149])[C@H:131]([OH:145])[C@@H:129]([CH2:115][O:151][C:137](/[C:124]([CH3:14])=[CH:110]/[C@@H:120]([CH3:10])[CH2:106][C@@H:116]([CH3:6])[CH2:101][CH2:96][CH2:91][CH2:86][CH2:81][CH2:76][CH2:71][CH2:57][CH2:52][CH2:47][CH2:42][CH2:37][CH2:32][CH2:27][CH2:22][CH3:5])=[O:147])[O:153]2)[C@H:135]([O:157][C:140](/[C:127]([CH3:17])=[CH:113]/[C@@H:123]([CH3:13])[CH2:109][C@@H:119]([CH3:9])[CH2:104][CH2:99][CH2:94][CH2:89][CH2:84][CH2:79][CH2:74][CH2:70][CH2:66][CH2:63][CH2:60][CH2:55][CH2:50][CH2:45][CH2:40][CH2:35][CH2:30][CH2:25][CH2:20][CH3:3])=[O:150])[C@H:132]1[OH:146] |
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