(Q27144528)

English

N-acetyl-alpha-D-galactosaminyl-1-diphospho-ditrans,polycis-undecaprenol

chemical compound

N-Acetyl-D-galactosaminyldiphosphoundecaprenol
N-acetyl-alpha-D-galactosaminyl-1-diphospho-ditrans,octacis-undecaprenol

In more languages

Statements

type of chemical entity

0 references

chemical compound

0 references

1,129.711±0 dalton

1 reference

language of work or name

N-acetyl-alpha-D-galactosaminyl-1-diphospho-ditrans,octacis-undecaprenol (English)

8 October 2016

stereoisomer of

N-acetyl-alpha-D-glucosaminyl-1-diphospho-ditrans,polycis-undecaprenol

1 reference

based on heuristic

inferred from InChI

N-acetyl-D-glucosaminyl-1-diphospho-ditrans,polycis-undecaprenol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₆₃H₁₀₅NO₁₂P₂

1 reference

language of work or name

N-acetyl-alpha-D-galactosaminyl-1-diphospho-ditrans,octacis-undecaprenol (English)

8 October 2016

canonical SMILES

CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)OC1C(C(C(C(O1)CO)O)O)NC(=O)C)C)C)C)C)C)C)C)C)C)C)C

1 reference

language of work or name

N-acetyl-alpha-D-galactosaminyl-1-diphospho-ditrans,octacis-undecaprenol (English)

8 October 2016

isomeric SMILES

CC(=CCC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\COP(=O)(O)OP(=O)(O)O[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)NC(=O)C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C

1 reference

language of work or name

N-acetyl-alpha-D-galactosaminyl-1-diphospho-ditrans,octacis-undecaprenol (English)

8 October 2016

Identifiers

InChI=1S/C63H105NO12P2/c1-47(2)24-14-25-48(3)26-15-27-49(4)28-16-29-50(5)30-17-31-51(6)32-18-33-52(7)34-19-35-53(8)36-20-37-54(9)38-21-39-55(10)40-22-41-56(11)42-23-43-57(12)44-45-73-77(69,70)76-78(71,72)75-63-60(64-58(13)66)62(68)61(67)59(46-65)74-63/h24,26,28,30,32,34,36,38,40,42,44,59-63,65,67-68H,14-23,25,27,29,31,33,35,37,39,41,43,45-46H2,1-13H3,(H,64,66)(H,69,70)(H,71,72)/b48-26+,49-28+,50-30-,51-32-,52-34-,53-36-,54-38-,55-40-,56-42-,57-44-/t59-,60-,61+,62-,63-/m1/s1

1 reference

based on heuristic

inferred from SMILES

NEVJGTXBHJNFAZ-YFANDDCFSA-N

2 references

language of work or name

N-acetyl-alpha-D-galactosaminyl-1-diphospho-ditrans,octacis-undecaprenol (English)

8 October 2016

ChEBI release 2020-09-01

1 reference

language of work or name

2-Acetamido-2-deoxy-1-O-{hydroxy[(hydroxy{[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyl-2,6,10,14,18,22,26,30,34,38,42-tetratetracontaundecaen-1-yl]oxy}phosphory (English)

8 October 2016

2 references

language of work or name

N-acetyl-alpha-D-galactosaminyl-1-diphospho-ditrans,octacis-undecaprenol (English)

8 October 2016

matched by identifier from

NEVJGTXBHJNFAZ-YFANDDCFSA-N

mapping relation type

2 references

language of work or name

N-acetyl-alpha-D-galactosaminyl-1-diphospho-ditrans,polycis-undecaprenol (English)

8 October 2016

matched by identifier from

International Chemical Identifier

InChI=1S/C63H105NO12P2/c1-47(2)24-14-25-48(3)26-15-27-49(4)28-16-29-50(5)30-17-31-51(6)32-18-33-52(7)34-19-35-53(8)36-20-37-54(9)38-21-39-55(10)40-22-41-56(11)42-23-43-57(12)44-45-73-77(69,70)76-78(71,72)75-63-60(64-58(13)66)62(68)61(67)59(46-65)74-63/h24,26,28,30,32,34,36,38,40,42,44,59-63,65,67-68H,14-23,25,27,29,31,33,35,37,39,41,43,45-46H2,1-13H3,(H,64,66)(H,69,70)(H,71,72)/b48-26+,49-28+,50-30-,51-32-,52-34-,53-36-,54-38-,55-40-,56-42-,57-44-/t59-,60-,61+,62-,63-/m1/s1

UniChem compound ID

1 reference

1 reference

language of work or name

N-acetyl-alpha-D-galactosaminyl-1-diphospho-ditrans,polycis-undecaprenol (English)

8 October 2016

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