a 2-(long-chain fatty acyl)-2',3,4',6-tetramycolipenoyl-trehalose

Properties Image MNX_ID MNXM166751 reference metacycM:CPD-18567 formula C131H237O16*5 global charge 0 mol weight   InChIKey   InChI   SMILES [*]CCCCCCCCCCCCCCCCC[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)CCCCCCCCCCCCCCCCC[*])[C@H](O)[C@H]2OC(=O)/C(C)=C/[C@@H](C)C[C@@H](C)CCCCCCCCCCCCCCCCC[*])[C@H](OC(=O)CCCCCCCCCCCCCC[*])[C@@H](OC(=O)/C(C)=C/[C@@H](C)C[C@@H](C)CCCCCCCCCCCCCCCCC[*])[C@@H]1O MNX internals InChI (mnx) InChI=1/C136H252O16/c1-18-23-28-33-38-43-48-53-57-61-66-70-75-80-85-90-95-110(6)100-114(10)104-118(14)131(141)145-109-123-125(139)128(150-133(143)120(16)106-116(12)102-112(8)97-92-87-82-77-72-68-63-59-55-50-45-40-35-30-25-20-3)130(148-124(138)99-94-89-84-79-74-65-52-47-42-37-32-27-22-5)136(147-123)152-135-129(151-134(144)121(17)107-117(13)103-113(9)98-93-88-83-78-73-69-64-60-56-51-46-41-36-31-26-21-4)126(140)127(122(108-137)146-135)149-132(142)119(15)105-115(11)101-111(7)96-91-86-81-76-71-67-62-58-54-49-44-39-34-29-24-19-2/h104-107,110-117,122-123,125-130,135-137,139-140H,18-103,108-109H2,1-17H3/b118-104+,119-105+,120-106+,121-107+/t110-,111-,112-,113-,114-,115-,116-,117-,122+,123+,125+,126-,127+,128-,129+,130+,135+,136+/m0/s1/i1+1,2+1,3+1,4+1,5+1 SMILES (mnx) [13CH3:1][CH2:18][CH2:23][CH2:28][CH2:33][CH2:38][CH2:43][CH2:48][CH2:53][CH2:57][CH2:61][CH2:66][CH2:70][CH2:75][CH2:80][CH2:85][CH2:90][CH2:95][C@H:110]([CH3:6])[CH2:100][C@H:114]([CH3:10])/[CH:104]=[C:118](\[CH3:14])[C:131](=[O:141])[O:145][CH2:109][C@@H:123]1[C@@H:125]([OH:139])[C@H:128]([O:150][C:133](/[C:120]([CH3:16])=[CH:106]/[C@@H:116]([CH3:12])[CH2:102][C@@H:112]([CH3:8])[CH2:97][CH2:92][CH2:87][CH2:82][CH2:77][CH2:72][CH2:68][CH2:63][CH2:59][CH2:55][CH2:50][CH2:45][CH2:40][CH2:35][CH2:30][CH2:25][CH2:20][13CH3:3])=[O:143])[C@@H:130]([O:148][C:124]([CH2:99][CH2:94][CH2:89][CH2:84][CH2:79][CH2:74][CH2:65][CH2:52][CH2:47][CH2:42][CH2:37][CH2:32][CH2:27][CH2:22][13CH3:5])=[O:138])[C@@H:136]([O:152][C@@H:135]2[C@H:129]([O:151][C:134](/[C:121]([CH3:17])=[CH:107]/[C@@H:117]([CH3:13])[CH2:103][C@@H:113]([CH3:9])[CH2:98][CH2:93][CH2:88][CH2:83][CH2:78][CH2:73][CH2:69][CH2:64][CH2:60][CH2:56][CH2:51][CH2:46][CH2:41][CH2:36][CH2:31][CH2:26][CH2:21][13CH3:4])=[O:144])[C@@H:126]([OH:140])[C@H:127]([O:149][C:132](/[C:119]([CH3:15])=[CH:105]/[C@@H:115]([CH3:11])[CH2:101][C@@H:111]([CH3:7])[CH2:96][CH2:91][CH2:86][CH2:81][CH2:76][CH2:71][CH2:67][CH2:62][CH2:58][CH2:54][CH2:49][CH2:44][CH2:39][CH2:34][CH2:29][CH2:24][CH2:19][13CH3:2])=[O:142])[C@@H:122]([CH2:108][OH:137])[O:146]2)[O:147]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0