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

PropertiesImageOccurences in reactions
MNX_IDMNXM10384Image of MNXM10384
#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
formulaC119H218O11P
charge-1
mass1856.015
referenceseedM:cpd26591
InChIKeyHBBSTOBYAYOIAG-WEXGCOGLSA-M
InChIInChI=1S/C119H219O11P/c1-11-13-15-17-19-21-23-25-27-29-30-31-32-33-34-35-36-38-42-46-50-58-64-70-94-112(113(120)95-71-65-59-51-47-43-39-41-45-49-55-61-67-91-109-99-111(109)93-69-63-57-53-52-56-62-68-92-110-98-108(110)90-66-60-54-48-44-40-37-28-26-24-22-20-18-16-14-12-2)118(124)127-100-114-115(121)116(122)117(123)119(129-114)130-131(125,126)128-97-96-107(10)89-77-88-106(9)87-76-86-105(8)85-75-84-104(7)83-74-82-103(6)81-73-80-102(5)79-72-78-101(3)4/h78,80,82,84,86,88,96,108-117,119-123H,11-77,79,81,83,85,87,89-95,97-100H2,1-10H3,(H,125,126)/p-1/b102-80+,103-82+,104-84+,105-86+,106-88+,107-96+/t108?,109?,110?,111?,112?,113-,114-,115-,116+,117+,119-/m1/s1
SMILES[CH3:1][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:38][CH2:42][CH2:46][CH2:50][CH2:58][CH2:64][CH2:70][CH2:94][CH:112]([C@@H:113]([CH2:95][CH2:71][CH2:65][CH2:59][CH2:51][CH2:47][CH2:43][CH2:39][CH2:41][CH2:45][CH2:49][CH2:55][CH2:61][CH2:67][CH2:91][CH:109]1[CH2:99][CH:111]1[CH2:93][CH2:69][CH2:63][CH2:57][CH2:53][CH2:52][CH2:56][CH2:62][CH2:68][CH2:92][CH:110]1[CH2:98][CH:108]1[CH2:90][CH2:66][CH2:60][CH2:54][CH2:48][CH2:44][CH2:40][CH2:37][CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH3:2])[OH:120])[C:118](=[O:124])[O:127][CH2:100][C@@H:114]1[C@@H:115]([OH:121])[C@H:116]([OH:122])[C@H:117]([OH:123])[C@@H:119]([O:130][P:131]([OH:125])(=[O:126])[O:128][CH2:97]/[CH:96]=[C:107](\[CH3:10])[CH2:89][CH2:77]/[CH:88]=[C:106](\[CH3:9])[CH2:87][CH2:76]/[CH:86]=[C:105](\[CH3:8])[CH2:85][CH2:75]/[CH:84]=[C:104](\[CH3:7])[CH2:83][CH2:74]/[CH:82]=[C:103](\[CH3:6])[CH2:81][CH2:73]/[CH:80]=[C:102](\[CH3:5])[CH2:79][CH2:72][CH:78]=[C:101]([CH3:3])[CH3:4])[O:129]1
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Similar chemical compounds in external resources
IdentifierDescription
metacyc.compound:CPD1G-83
metacycM:CPD1G-83
seed.compound:cpd26591
seedM:cpd26591
6-O-mycolyl-beta-D-mannopyranosyl-1-phosphoheptaprenol
seedM:M_cpd26591 secondary/obsolete/fantasy identifier