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ChEBI
> Main
CHEBI:67106 - 1-deoxysphinganine
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ChEBI Name
1-deoxysphinganine
ChEBI ID
CHEBI:67106
Definition
A bioactive sphingoid, sphinganine, in which the terminal hydroxy group has been replaced by a hydrogen.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Alan Bridge
Supplier Information
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Formula
C18H39NO
Net Charge
0
Average Mass
285.50840
Monoisotopic Mass
285.30316
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/t17-
,18+/m0/s1
InChIKey
YRYJJIXWWQLGGV-ZWKOTPCHSA-N
SMILES
CCCCCCCCCCCCCCC[C@@H](O)[C@H](C)N
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
Application
(s):
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
1-deoxysphinganine (
CHEBI:67106
)
has functional parent
sphinganine (
CHEBI:16566
)
1-deoxysphinganine (
CHEBI:67106
)
has role
antineoplastic agent (
CHEBI:35610
)
1-deoxysphinganine (
CHEBI:67106
)
is a
amino alcohol (
CHEBI:22478
)
1-deoxysphinganine (
CHEBI:67106
)
is a
sphingoid (
CHEBI:35785
)
1-deoxysphinganine (
CHEBI:67106
)
is conjugate base of
1-deoxysphinganine(1+) (
CHEBI:67109
)
Incoming
1-deoxysphinga-6
Z
,9
Z
,12
Z
,15
Z
-tetraenine (
CHEBI:73892
)
has functional parent
1-deoxysphinganine (
CHEBI:67106
)
1-deoxysphinganine(1+) (
CHEBI:67109
)
is conjugate acid of
1-deoxysphinganine (
CHEBI:67106
)
IUPAC Name
(2
S
,3
R
)-2-aminooctadecan-3-ol
Synonyms
Sources
(2
S
,3
R
)-2-amino-3-hydroxyoctadecane
ChEBI
1-deoxy-sphinganine
LIPID MAPS
1-deoxysphinganine (0)
UniProt
Spisulosine
LIPID MAPS
Manual Xrefs
Databases
EP1069894
Patent
LMSP01080032
LIPID MAPS
View more database links
Registry Number
Type
Source
1722974
Reaxys Registry Number
Reaxys
Citations
Types
Sources
10754202
PubMed citation
Europe PMC
18690825
PubMed citation
Europe PMC
21942574
PubMed citation
SUBMITTER
Last Modified
03 June 2013