(Q27181267)

CHEBI:104012 (English)

10 October 2016

chemical formula

C₄₄H₇₇N₃O₁₅P₂

1 reference

CHEBI:104012 (English)

10 October 2016

canonical SMILES

CCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O)OC(=O)CCCCCCCC=CCCCCCC

1 reference

CHEBI:104012 (English)

10 October 2016

isomeric SMILES

CCCCCCC=CCCCCCCCC(=O)OC[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)OC(=O)CCCCCCCC=CCCCCCC

1 reference

CHEBI:104012 (English)

InChI=1S/C44H77N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-39(48)57-33-36(60-40(49)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)34-58-63(53,54)62-64(55,56)59-35-37-41(50)42(51)43(61-37)47-32-31-38(45)46-44(47)52/h13-16,31-32,36-37,41-43,50-51H,3-12,17-30,33-35H2,1-2H3,(H,53,54)(H,55,56)(H2,45,46,52)/t36-,37-,41-,42-,43-/m1/s1

10 October 2016

Identifiers

InChI

1 reference

CHEBI:104012 (English)

LBKBJHVQQNUXGQ-BQUKFSKHSA-N

10 October 2016

InChIKey

2 references

CHEBI:104012 (English)

10 October 2016

stated in

ChEBI release 2020-09-01

1 reference

CHEBI:104012 (English)

10 October 2016

ChEBI ID

104012

mapping relation type

1 reference