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6-O-cis-keto-mycolyl-beta-D-mannopyranosyl-1-phosphoheptaprenol

PropertiesImageOccurences in reactions
MNX_IDMNXM10380Image of MNXM10380
#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
formulaC127H234O12P
charge-1
mass1984.23
referenceseedM:cpd26564
InChIKeyFTCCDGNTXYYXNP-RPCFBLFISA-M
InChIInChI=1S/C127H235O12P/c1-12-14-16-18-20-22-24-26-28-30-31-32-33-34-37-41-48-54-60-66-72-78-102-119(126(133)136-108-122-123(130)124(131)125(132)127(138-122)139-140(134,135)137-106-105-115(10)98-86-97-114(9)96-85-95-113(8)94-84-93-112(7)92-83-91-111(6)90-82-89-110(5)88-81-87-109(3)4)121(129)104-80-74-68-62-56-50-42-38-35-36-40-46-52-58-64-70-76-100-117-107-118(117)101-77-71-65-59-53-47-43-44-49-55-61-67-73-79-103-120(128)116(11)99-75-69-63-57-51-45-39-29-27-25-23-21-19-17-15-13-2/h87,89,91,93,95,97,105,116-119,121-125,127,129-132H,12-86,88,90,92,94,96,98-104,106-108H2,1-11H3,(H,134,135)/p-1/b110-89+,111-91+,112-93+,113-95+,114-97+,115-105+/t116?,117?,118?,119?,121-,122-,123-,124+,125+,127-/m1/s1
SMILES[CH3:1][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:37][CH2:41][CH2:48][CH2:54][CH2:60][CH2:66][CH2:72][CH2:78][CH2:102][CH:119]([C@@H:121]([CH2:104][CH2:80][CH2:74][CH2:68][CH2:62][CH2:56][CH2:50][CH2:42][CH2:38][CH2:35][CH2:36][CH2:40][CH2:46][CH2:52][CH2:58][CH2:64][CH2:70][CH2:76][CH2:100][CH:117]1[CH2:107][CH:118]1[CH2:101][CH2:77][CH2:71][CH2:65][CH2:59][CH2:53][CH2:47][CH2:43][CH2:44][CH2:49][CH2:55][CH2:61][CH2:67][CH2:73][CH2:79][CH2:103][C:120]([CH:116]([CH3:11])[CH2:99][CH2:75][CH2:69][CH2:63][CH2:57][CH2:51][CH2:45][CH2:39][CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH3:2])=[O:128])[OH:129])[C:126](=[O:133])[O:136][CH2:108][C@@H:122]1[C@@H:123]([OH:130])[C@H:124]([OH:131])[C@H:125]([OH:132])[C@@H:127]([O:139][P:140]([OH:134])(=[O:135])[O:137][CH2:106]/[CH:105]=[C:115](\[CH3:10])[CH2:98][CH2:86]/[CH:97]=[C:114](\[CH3:9])[CH2:96][CH2:85]/[CH:95]=[C:113](\[CH3:8])[CH2:94][CH2:84]/[CH:93]=[C:112](\[CH3:7])[CH2:92][CH2:83]/[CH:91]=[C:111](\[CH3:6])[CH2:90][CH2:82]/[CH:89]=[C:110](\[CH3:5])[CH2:88][CH2:81][CH:87]=[C:109]([CH3:3])[CH3:4])[O:138]1
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Similar chemical compounds in external resources
IdentifierDescription
metacyc.compound:CPD1G-107
metacycM:CPD1G-107
seed.compound:cpd26564
seedM:cpd26564
6-O-cis-keto-mycolyl-beta-D-mannopyranosyl-1-phosphoheptaprenol
seedM:M_cpd26564 secondary/obsolete/fantasy identifier