(Q27135626)

1-deoxysphinganine (English)

7 October 2016

chemical formula

C₁₈H₄₀NO⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCCCCCCCCCCCCCCC(C(C)[NH3+])O

1 reference

1-deoxysphinganine (English)

7 October 2016

isomeric SMILES

CCCCCCCCCCCCCCC[C@H]([C@H](C)[NH3+])O

1 reference

1-deoxysphinganine (English)

InChI=1S/C18H39NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17(2)19/h17-18,20H,3-16,19H2,1-2H3/p+1/t17-,18+/m0/s1

7 October 2016

Identifiers

InChI

1 reference

1-deoxysphinganine (English)

YRYJJIXWWQLGGV-ZWKOTPCHSA-O

7 October 2016

InChIKey

2 references

1-deoxysphinganine (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2S,3R)-3-Hydroxy-2-octadecanaminium (English)

7 October 2016

2 references

1-deoxysphinganine (English)

matched by identifier from

7 October 2016

InChIKey

YRYJJIXWWQLGGV-ZWKOTPCHSA-O

ChEBI ID

67109

mapping relation type

2 references

1-deoxysphinganine(1+) (English)

matched by identifier from

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C18H39NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17(2)19/h17-18,20H,3-16,19H2,1-2H3/p+1/t17-,18+/m0/s1

1 reference

2 references

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