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(Mannosyl)8-(N-acetylglucosaminyl)2-diphosphodolichol

PropertiesImage
MNX_IDMNXM31507 Image of MNXM31507
referencehmdb:HMDB0012124
formulaC144H240N2O57P2
global charge0
mol weight2973.409
InChIKeyYRUUGXZUKTWFST-JNAUNXQKSA-N
InChIInChI=1S/C144H240N2O57P2/c1-77(2)35-20-36-78(3)37-21-38-79(4)39-22-40-80(5)41-23-42-81(6)43-24-44-82(7)45-25-46-83(8)47-26-48-84(9)49-27-50-85(10)51-28-52-86(11)53-29-54-87(12)55-30-56-88(13)57-31-58-89(14)59-32-60-90(15)61-33-62-91(16)63-34-64-92(17)65-66-184-204(178,179)203-205(180,181)202-136-106(146-94(19)156)116(166)128(102(74-154)192-136)195-135-105(145-93(18)155)115(165)129(101(73-153)191-135)196-141-127(177)131(198-143-134(122(172)112(162)99(71-151)189-143)201-144-133(121(171)111(161)100(72-152)190-144)200-140-125(175)119(169)109(159)97(69-149)187-140)114(164)104(194-141)76-183-138-126(176)130(113(163)103(193-138)75-182-137-123(173)117(167)107(157)95(67-147)185-137)197-142-132(120(170)110(160)98(70-150)188-142)199-139-124(174)118(168)108(158)96(68-148)186-139/h35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,92,95-144,147-154,157-177H,20-34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64-76H2,1-19H3,(H,145,155)(H,146,156)(H,178,179)(H,180,181)/b78-37+,79-39+,80-41+,81-43+,82-45+,83-47+,84-49+,85-51+,86-53+,87-55+,88-57+,89-59+,90-61+,91-63+/t92?,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117+,118+,119+,120+,121+,122+,123+,124+,125+,126+,127+,128-,129-,130+,131+,132+,133+,134+,135+,136+,137+,138+,139-,140-,141+,142-,143-,144-/m1/s1
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](OP(=O)(O)OP(=O)(O)OCCC(C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)O[C@@H]2CO)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C144H240N2O57P2/c1-77(2)35-20-36-78(3)37-21-38-79(4)39-22-40-80(5)41-23-42-81(6)43-24-44-82(7)45-25-46-83(8)47-26-48-84(9)49-27-50-85(10)51-28-52-86(11)53-29-54-87(12)55-30-56-88(13)57-31-58-89(14)59-32-60-90(15)61-33-62-91(16)63-34-64-92(17)65-66-184-204(178,179)203-205(180,181)202-136-106(146-94(19)156)116(166)128(102(74-154)192-136)195-135-105(145-93(18)155)115(165)129(101(73-153)191-135)196-141-127(177)131(198-143-134(122(172)112(162)99(71-151)189-143)201-144-133(121(171)111(161)100(72-152)190-144)200-140-125(175)119(169)109(159)97(69-149)187-140)114(164)104(194-141)76-183-138-126(176)130(113(163)103(193-138)75-182-137-123(173)117(167)107(157)95(67-147)185-137)197-142-132(120(170)110(160)98(70-150)188-142)199-139-124(174)118(168)108(158)96(68-148)186-139/h35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,92,95-144,147-154,157-177H,20-34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64-76H2,1-19H3,(H,145,155)(H,146,156)(H,178,179)(H,180,181)/b78-37+,79-39+,80-41+,81-43+,82-45+,83-47+,84-49+,85-51+,86-53+,87-55+,88-57+,89-59+,90-61+,91-63+/t92?,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117+,118+,119+,120+,121+,122+,123+,124+,125+,126+,127+,128-,129-,130+,131+,132+,133+,134+,135+,136+,137+,138+,139-,140-,141+,142-,143-,144-/m1/s1 Image of MNXM31507
SMILES (mnx)[CH3:1][C:77]([CH3:2])=[CH:35][CH2:20][CH2:36]/[C:78]([CH3:3])=[CH:37]/[CH2:21][CH2:38]/[C:79]([CH3:4])=[CH:39]/[CH2:22][CH2:40]/[C:80]([CH3:5])=[CH:41]/[CH2:23][CH2:42]/[C:81]([CH3:6])=[CH:43]/[CH2:24][CH2:44]/[C:82]([CH3:7])=[CH:45]/[CH2:25][CH2:46]/[C:83]([CH3:8])=[CH:47]/[CH2:26][CH2:48]/[C:84]([CH3:9])=[CH:49]/[CH2:27][CH2:50]/[C:85]([CH3:10])=[CH:51]/[CH2:28][CH2:52]/[C:86]([CH3:11])=[CH:53]/[CH2:29][CH2:54]/[C:87]([CH3:12])=[CH:55]/[CH2:30][CH2:56]/[C:88]([CH3:13])=[CH:57]/[CH2:31][CH2:58]/[C:89]([CH3:14])=[CH:59]/[CH2:32][CH2:60]/[C:90]([CH3:15])=[CH:61]/[CH2:33][CH2:62]/[C:91]([CH3:16])=[CH:63]/[CH2:34][CH2:64][CH:92]([CH3:17])[CH2:65][CH2:66][O:184][P:204]([OH:178])(=[O:179])[O:203][P:205]([OH:180])(=[O:181])[O:202][C@H:136]1[C@H:106]([N:146]=[C:94]([CH3:19])[OH:156])[C@@H:116]([OH:166])[C@H:128]([O:195][C@H:135]2[C@H:105]([N:145]=[C:93]([CH3:18])[OH:155])[C@@H:115]([OH:165])[C@H:129]([O:196][C@H:141]3[C@@H:127]([OH:177])[C@@H:131]([O:198][C@@H:143]4[C@@H:134]([O:201][C@@H:144]5[C@@H:133]([O:200][C@@H:140]6[C@@H:125]([OH:175])[C@@H:119]([OH:169])[C@H:109]([OH:159])[C@@H:97]([CH2:69][OH:149])[O:187]6)[C@@H:121]([OH:171])[C@H:111]([OH:161])[C@@H:100]([CH2:72][OH:152])[O:190]5)[C@@H:122]([OH:172])[C@H:112]([OH:162])[C@@H:99]([CH2:71][OH:151])[O:189]4)[C@H:114]([OH:164])[C@@H:104]([CH2:76][O:183][C@@H:138]4[C@@H:126]([OH:176])[C@@H:130]([O:197][C@@H:142]5[C@@H:132]([O:199][C@@H:139]6[C@@H:124]([OH:174])[C@@H:118]([OH:168])[C@H:108]([OH:158])[C@@H:96]([CH2:68][OH:148])[O:186]6)[C@@H:120]([OH:170])[C@H:110]([OH:160])[C@@H:98]([CH2:70][OH:150])[O:188]5)[C@H:113]([OH:163])[C@@H:103]([CH2:75][O:182][C@@H:137]5[C@@H:123]([OH:173])[C@@H:117]([OH:167])[C@H:107]([OH:157])[C@@H:95]([CH2:67][OH:147])[O:185]5)[O:193]4)[O:194]3)[C@@H:101]([CH2:73][OH:153])[O:191]2)[C@@H:102]([CH2:74][OH:154])[O:192]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription
hmdb:HMDB0012124
YRUUGXZUKTWFST-JNAUNXQKSA-N 		(Mannosyl)8-(N-acetylglucosaminyl)2-diphosphodolichol
[(2S,3R,4R,5S,6R)-5-{[(2S,3R,4R,5S,6R)-5-{[(2S,3S,4S,5R,6R)-6-({[(2S,3S,4S,5R,6R)-4-{[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxy-6-({[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)-4-{[(2R,3S,4S,5S,6R)-3-{[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl]oxy}-3-acetamido-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-acetamido-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy({[(6E,10E,14E,18E,22E,26E,30E,34E,38E,42E,46E,50E,54E,58E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63-hexadecamethyltetrahexaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62-pentadecaen-1-yl]oxy(hydroxy)phosphoryl}oxy)phosphinic acid
{[(2S,3R,4R,5S,6R)-5-{[(2S,3R,4R,5S,6R)-5-{[(2S,3S,4S,5R,6R)-6-({[(2S,3S,4S,5R,6R)-4-{[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxy-6-({[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)-4-{[(2R,3S,4S,5S,6R)-3-{[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl]oxy}-3-acetamido-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-acetamido-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}[({[(6E,10E,14E,18E,22E,26E,30E,34E,38E,42E,46E,50E,54E,58E)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63-hexadecamethyltetrahexaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62-pentadecaen-1-yl]oxy}(hydroxy)phosphoryl)oxy]phosphinic acid

hmdb:HMDB12124 		secondary/obsolete/fantasy identifier