(Q115971196)

English

GPNCBCJEDRRCDW-UHFFFAOYSA-N

group of stereoisomers with the chemical formula C₇₆H₁₄₂N₂O₃₀P₂

In more languages

Statements

group of stereoisomers

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chemical compound

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1,624.912264404 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₇₆H₁₄₂N₂O₃₀P₂

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canonical SMILES

O=C(O)C1(OCC2OC(OCC3OC(OP(=O)(O)O)C(NC(=O)CC(O)CCCCCCCCCCC)C(OC(=O)CC(O)CCCCCCCCCCC)C3O)C(NC(=O)CC(O)CCCCCCCCCCC)C(OC(=O)CC(O)CCCCCCCCCCC)C2OP(=O)(O)O)OC(C(O)CO)C(O)C(O)C1

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Escherichia coli

1 reference

A comprehensive genome-scale reconstruction of Escherichia coli metabolism--2011.

Identifiers

InChI=1S/C76H142N2O30P2/c1-5-9-13-17-21-25-29-33-37-41-53(80)45-61(86)77-65-71(104-63(88)47-55(82)43-39-35-31-27-23-19-15-11-7-3)68(91)59(102-74(65)108-110(97,98)99)51-100-73-66(78-62(87)46-54(81)42-38-34-30-26-22-18-14-10-6-2)72(105-64(89)48-56(83)44-40-36-32-28-24-20-16-12-8-4)70(107-109(94,95)96)60(103-73)52-101-76(75(92)93)49-57(84)67(90)69(106-76)58(85)50-79/h53-60,65-74,79-85,90-91H,5-52H2,1-4H3,(H,77,86)(H,78,87)(H,92,93)(H2,94,95,96)(H2,97,98,99)

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GPNCBCJEDRRCDW-UHFFFAOYSA-N

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2 references

3 January 2023

based on heuristic

inferred from InChIKey

matched by identifier from

GPNCBCJEDRRCDW-UHFFFAOYSA-N

UniChem compound ID

1 reference

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