(Q27157999)

Cer(d18:1/22:1(13Z)) (English)

9 October 2016

chemical formula

C₄₀H₇₇NO₃

1 reference

Cer(d18:1/22:1(13Z)) (English)

9 October 2016

canonical SMILES

CCCCCCCCCCCCCC=CC(C(CO)NC(=O)CCCCCCCCCCCC=CCCCCCCCC)O

1 reference

Cer(d18:1/22:1(13Z)) (English)

9 October 2016

isomeric SMILES

CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)O

1 reference

Cer(d18:1/22:1(13Z)) (English)

InChI=1S/C40H77NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-40(44)41-38(37-42)39(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h17-18,33,35,38-39,42-43H,3-16,19-32,34,36-37H2,1-2H3,(H,41,44)/b18-17-,35-33+/t38-,39+/m0/s1

9 October 2016

Identifiers

InChI

1 reference

Cer(d18:1/22:1(13Z)) (English)

YHMJTZZWEXBHQK-MUDOESHNSA-N

9 October 2016

InChIKey

2 references

Cer(d18:1/22:1(13Z)) (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(13Z)-N-[(2S,3R,4E)-1,3-Dihydroxy-4-octadecen-2-yl]-13-docosenamide (English)

9 October 2016

1 reference

Cer(d18:1/22:1(13Z)) (English)

9 October 2016

ChEBI ID

84701

mapping relation type

1 reference

Human Metabolome Database ID

N-[(13Z)-docosenoyl]sphingosine (English)

9 October 2016

1 reference

HMDB0011775

1 reference

based on heuristic

inferred from InChIKey

1 reference

https://www.swisslipids.org/#/downloads