Feedback

C40-hydroxyphthioceranate

Properties

Image

Occurences in reactions

MNX_ID

MNXM56915

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₄₀H₇₉O₃

charge

-1

mass

607.60347

reference

metacycM:CPD-18594

InChIKey

HCTBUGXAFRDFOG-WVPQRUSMSA-M

InChI

InChI=1S/C40H80O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-39(41)37(8)29-35(6)27-33(4)25-31(2)24-32(3)26-34(5)28-36(7)30-38(9)40(42)43/h31-39,41H,10-30H2,1-9H3,(H,42,43)/p-1/t31-,32+,33-,34+,35-,36+,37-,38+,39?/m1/s1

SMILES

CCCCCCCCCCCCCCCC(O)[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:CPD-18594 metacycM:CPD-18594	C40-hydroxyphthioceranate (2S,4S,6S,8S,10R,12R,14R,16R)-17-hydroxy-2,4,6,8,10,12,14,16-octamethyl-dotriacontanoate hydroxyphthioceranic acid
seed.compound:cpd34040 seedM:cpd34040	(2S,4S,6S,8S,10R,12R,14R,16R)-17-hydroxy-2,4,6,8,10,12,14,16-octamethyl-dotriacontanoate C40-hydroxyphthioceranate hydroxyphthioceranic acid
lipidmaps:LMFA01020326 lipidmapsM:LMFA01020326	Hydroxyphthioceranic acid (C40) 2S,4S,6S,8S,10R,12R,14R,16R-octamethyl-17-hydroxy-dotriacontanoic acid FA 40:0 O
seedM:M_cpd34040	secondary/obsolete/fantasy identifier