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beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-alpha-D-Gal-(1->3)-GalNAc-PP-Und

MNXM167287 is deprecated and here replaced by MNXM1106956
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1106956 Image of MNXM1106956
referencemetacycM:CPD-18919
formulaC83H136N2O27P2
global charge-2
mol weight1655.936
InChIKeySCFVSUDUNSGQKA-XMNZDZCHSA-L
InChIInChI=1S/C83H138N2O27P2/c1-51(2)25-15-26-52(3)27-16-28-53(4)29-17-30-54(5)31-18-32-55(6)33-19-34-56(7)35-20-36-57(8)37-21-38-58(9)39-22-40-59(10)41-23-42-60(11)43-24-44-61(12)45-46-103-113(99,100)112-114(101,102)111-81-69(85-63(14)91)78(72(94)66(49-88)105-81)109-83-76(98)79(73(95)67(50-89)107-83)110-80-68(84-62(13)90)77(71(93)65(48-87)104-80)108-82-75(97)74(96)70(92)64(47-86)106-82/h25,27,29,31,33,35,37,39,41,43,45,64-83,86-89,92-98H,15-24,26,28,30,32,34,36,38,40,42,44,46-50H2,1-14H3,(H,84,90)(H,85,91)(H,99,100)(H,101,102)/p-2/b52-27+,53-29+,54-31-,55-33-,56-35-,57-37-,58-39-,59-41-,60-43-,61-45-/t64-,65-,66-,67-,68-,69-,70+,71-,72+,73+,74+,75-,76-,77-,78-,79+,80+,81-,82+,83-/m1/s1
SMILESCC(=O)N[C@H]1[C@@H](OP(=O)([O-])OP(=O)([O-])OC/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](CO)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2NC(C)=O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C83H138N2O27P2/c1-51(2)25-15-26-52(3)27-16-28-53(4)29-17-30-54(5)31-18-32-55(6)33-19-34-56(7)35-20-36-57(8)37-21-38-58(9)39-22-40-59(10)41-23-42-60(11)43-24-44-61(12)45-46-103-113(99,100)112-114(101,102)111-81-69(85-63(14)91)78(72(94)66(49-88)105-81)109-83-76(98)79(73(95)67(50-89)107-83)110-80-68(84-62(13)90)77(71(93)65(48-87)104-80)108-82-75(97)74(96)70(92)64(47-86)106-82/h25,27,29,31,33,35,37,39,41,43,45,64-83,86-89,92-98H,15-24,26,28,30,32,34,36,38,40,42,44,46-50H2,1-14H3,(H,84,90)(H,85,91)(H,99,100)(H,101,102)/b52-27+,53-29+,54-31-,55-33-,56-35-,57-37-,58-39-,59-41-,60-43-,61-45-/t64-,65-,66-,67-,68-,69-,70+,71-,72+,73+,74+,75-,76-,77-,78-,79+,80+,81-,82+,83-/m1/s1 Image of MNXM1106956
SMILES (mnx)[CH3:1][C:51]([CH3:2])=[CH:25][CH2:15][CH2:26]/[C:52]([CH3:3])=[CH:27]/[CH2:16][CH2:28]/[C:53]([CH3:4])=[CH:29]/[CH2:17][CH2:30]/[C:54]([CH3:5])=[CH:31]\[CH2:18][CH2:32]/[C:55]([CH3:6])=[CH:33]\[CH2:19][CH2:34]/[C:56]([CH3:7])=[CH:35]\[CH2:20][CH2:36]/[C:57]([CH3:8])=[CH:37]\[CH2:21][CH2:38]/[C:58]([CH3:9])=[CH:39]\[CH2:22][CH2:40]/[C:59]([CH3:10])=[CH:41]\[CH2:23][CH2:42]/[C:60]([CH3:11])=[CH:43]\[CH2:24][CH2:44]/[C:61]([CH3:12])=[CH:45]\[CH2:46][O:103][P:113]([OH:99])(=[O:100])[O:112][P:114]([OH:101])(=[O:102])[O:111][C@@H:81]1[C@H:69]([N:85]=[C:63]([CH3:14])[OH:91])[C@@H:78]([O:109][C@@H:83]2[C@H:76]([OH:98])[C@@H:79]([O:110][C@H:80]3[C@H:68]([N:84]=[C:62]([CH3:13])[OH:90])[C@@H:77]([O:108][C@H:82]4[C@H:75]([OH:97])[C@@H:74]([OH:96])[C@@H:70]([OH:92])[C@@H:64]([CH2:47][OH:86])[O:106]4)[C@H:71]([OH:93])[C@@H:65]([CH2:48][OH:87])[O:104]3)[C@@H:73]([OH:95])[C@@H:67]([CH2:50][OH:89])[O:107]2)[C@@H:72]([OH:94])[C@@H:66]([CH2:49][OH:88])[O:105]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-18919
metacycM:CPD-18919
SCFVSUDUNSGQKA-XMNZDZCHSA-L 		beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-alpha-D-Gal-(1->3)-GalNAc-PP-Und
beta-D-galactosyl-[1->3]-N-acetyl-beta-D-glucosaminyl-[1->3]-alpha-D-galactosyl-[1->3]-N-acetyl-alpha-D-galactosamine-diphospho-ditrans,octacis-undecaprenol

seed.compound:cpd31848
seedM:cpd31848
SCFVSUDUNSGQKA-XMNZDZCHSA-L 		beta-D-galactosyl-[1->3]-N-acetyl-beta-D-glucosaminyl-[1->3]-alpha-D-galactosyl-[1->3]-N-acetyl-D-galactosamine

seedM:M_cpd31848 		secondary/obsolete/fantasy identifier