| Properties | Image |
|---|
| MNX_ID | MNXM68928 |
 |
| reference | lipidmapsM:LMSL03001108 |
| formula | C145H270O16 |
| global charge | 0 |
| mol weight | 2269.739 |
| InChIKey | GIOLTIIGVSYYRC-XOSGGZPYSA-N |
| InChI | InChI=1S/C145H270O16/c1-18-23-28-33-38-43-48-53-58-62-66-71-75-80-84-89-94-99-104-119(6)109-123(10)113-127(14)140(150)154-118-132-134(148)137(159-142(152)129(16)115-125(12)111-121(8)106-101-96-91-86-81-76-72-67-63-59-54-49-44-39-34-29-24-19-2)139(157-133(147)108-103-98-93-88-83-78-69-57-52-47-42-37-32-27-22-5)145(156-132)161-144-138(160-143(153)130(17)116-126(13)112-122(9)107-102-97-92-87-82-77-73-68-64-60-55-50-45-40-35-30-25-20-3)135(149)136(131(117-146)155-144)158-141(151)128(15)114-124(11)110-120(7)105-100-95-90-85-79-74-70-65-61-56-51-46-41-36-31-26-21-4/h113-116,119-126,131-132,134-139,144-146,148-149H,18-112,117-118H2,1-17H3/b127-113+,128-114+,129-115+,130-116+/t119-,120-,121-,122-,123-,124-,125-,126-,131+,132+,134+,135-,136+,137-,138+,139+,144+,145+/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCCC[C@H](C)C[C@H](C)/C=C(\C)C(=O)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](OC(=O)/C(C)=C/[C@@H](C)C[C@@H](C)CCCCCCCCCCCCCCCCCCC)[C@H](O)[C@H]2OC(=O)/C(C)=C/[C@@H](C)C[C@@H](C)CCCCCCCCCCCCCCCCCCCC)[C@H](OC(=O)CCCCCCCCCCCCCCCCC)[C@@H](OC(=O)/C(C)=C/[C@@H](C)C[C@@H](C)CCCCCCCCCCCCCCCCCCCC)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C145H270O16/c1-18-23-28-33-38-43-48-53-58-62-66-71-75-80-84-89-94-99-104-119(6)109-123(10)113-127(14)140(150)154-118-132-134(148)137(159-142(152)129(16)115-125(12)111-121(8)106-101-96-91-86-81-76-72-67-63-59-54-49-44-39-34-29-24-19-2)139(157-133(147)108-103-98-93-88-83-78-69-57-52-47-42-37-32-27-22-5)145(156-132)161-144-138(160-143(153)130(17)116-126(13)112-122(9)107-102-97-92-87-82-77-73-68-64-60-55-50-45-40-35-30-25-20-3)135(149)136(131(117-146)155-144)158-141(151)128(15)114-124(11)110-120(7)105-100-95-90-85-79-74-70-65-61-56-51-46-41-36-31-26-21-4/h113-116,119-126,131-132,134-139,144-146,148-149H,18-112,117-118H2,1-17H3/b127-113+,128-114+,129-115+,130-116+/t119-,120-,121-,122-,123-,124-,125-,126-,131+,132+,134+,135-,136+,137-,138+,139+,144+,145+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:18][CH2:23][CH2:28][CH2:33][CH2:38][CH2:43][CH2:48][CH2:53][CH2:58][CH2:62][CH2:66][CH2:71][CH2:75][CH2:80][CH2:84][CH2:89][CH2:94][CH2:99][CH2:104][C@H:119]([CH3:6])[CH2:109][C@H:123]([CH3:10])/[CH:113]=[C:127](\[CH3:14])[C:140](=[O:150])[O:154][CH2:118][C@@H:132]1[C@@H:134]([OH:148])[C@H:137]([O:159][C:142](/[C:129]([CH3:16])=[CH:115]/[C@@H:125]([CH3:12])[CH2:111][C@@H:121]([CH3:8])[CH2:106][CH2:101][CH2:96][CH2:91][CH2:86][CH2:81][CH2:76][CH2:72][CH2:67][CH2:63][CH2:59][CH2:54][CH2:49][CH2:44][CH2:39][CH2:34][CH2:29][CH2:24][CH2:19][CH3:2])=[O:152])[C@@H:139]([O:157][C:133]([CH2:108][CH2:103][CH2:98][CH2:93][CH2:88][CH2:83][CH2:78][CH2:69][CH2:57][CH2:52][CH2:47][CH2:42][CH2:37][CH2:32][CH2:27][CH2:22][CH3:5])=[O:147])[C@@H:145]([O:161][C@@H:144]2[C@H:138]([O:160][C:143](/[C:130]([CH3:17])=[CH:116]/[C@@H:126]([CH3:13])[CH2:112][C@@H:122]([CH3:9])[CH2:107][CH2:102][CH2:97][CH2:92][CH2:87][CH2:82][CH2:77][CH2:73][CH2:68][CH2:64][CH2:60][CH2:55][CH2:50][CH2:45][CH2:40][CH2:35][CH2:30][CH2:25][CH2:20][CH3:3])=[O:153])[C@@H:135]([OH:149])[C@H:136]([O:158][C:141](/[C:128]([CH3:15])=[CH:114]/[C@@H:124]([CH3:11])[CH2:110][C@@H:120]([CH3:7])[CH2:105][CH2:100][CH2:95][CH2:90][CH2:85][CH2:79][CH2:74][CH2:70][CH2:65][CH2:61][CH2:56][CH2:51][CH2:46][CH2:41][CH2:36][CH2:31][CH2:26][CH2:21][CH3:4])=[O:151])[C@@H:131]([CH2:117][OH:146])[O:155]2)[O:156]1 |
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