CAS 1415684-80-8 | PtdIns-(3,4,5)-P3-biotinamide (sodium salt) | CAS Number 1415684-80-8

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1415684-80-8 | PtdIns-(3,4,5)-P3-biotinamide (sodium salt)

CAS No: 1415684-80-8 Catalog No: AG01FG9C MDL No:

Product Description

Catalog Number:

AG01FG9C

Chemical Name:

PtdIns-(3,4,5)-P3-biotinamide (sodium salt)

CAS Number:

1415684-80-8

Molecular Formula:

C35H61N3Na4O24P4S

Molecular Weight:

1155.7837

IUPAC Name:

tetrasodium;[2,4-dihydroxy-5,6-bis[[hydroxy(oxido)phosphoryl]oxy]-3-[[2-octanoyloxy-3-[8-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]octanoyloxy]propoxy]-oxidophosphoryl]oxycyclohexyl] hydrogen phosphate

InChI:

InChI=1S/C35H65N3O24P4S.4Na/c1-2-3-4-6-10-17-27(41)58-22(19-56-26(40)16-9-7-5-8-13-18-36-25(39)15-12-11-14-24-28-23(21-67-24)37-35(44)38-28)20-57-66(54,55)62-31-29(42)32(59-63(45,46)47)34(61-65(51,52)53)33(30(31)43)60-64(48,49)50;;;;/h22-24,28-34,42-43H,2-21H2,1H3,(H,36,39)(H,54,55)(H2,37,38,44)(H2,45,46,47)(H2,48,49,50)(H2,51,52,53);;;;/q;4*+1/p-4

InChI Key:

IIJJVXPPNNJTJF-UHFFFAOYSA-J

SMILES:

CCCCCCCC(=O)O[C@@H](COP(=O)(O[C@@H]1[C@H](O)[C@H](OP(=O)(O)[O-])[C@H]([C@@H]([C@H]1O)OP(=O)(O)[O-])OP(=O)(O)[O-])[O-])COC(=O)CCCCCCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2.[Na+].[Na+].[Na+].[Na+]