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(Q76421982)
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English
Sphingofungin E
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(E)-2-amino-3,4,5-trihydroxy-2-(hydroxymethyl)-14-oxoicos-6-enoic acid
1 reference
based on heuristic
inferred from SMILES
2-amino-3,4,5-trihydroxy-2-(hydroxymethyl)-14-oxoicos-6-enoic acid
1 reference
based on heuristic
inferred from SMILES
mass
417.272652588
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₃₉NO₇
0 references
canonical SMILES
O=C(O)C(N)(CO)C(O)C(O)C(O)C=CCCCCCCC(=O)CCCCCC
0 references
isomeric SMILES
CCCCCCC(=O)CCCCCC/C=C/[C@@H]([C@H]([C@@H]([C@@](CO)(C(=O)O)N)O)O)O
0 references
found in taxon
Paecilomyces variotii
2 references
stated in
Sphingofungins E and F: novel serinepalmitoyl transferase inhibitors from Paecilomyces variotii
stated in
Sphingofungins E and F: novel serinepalmitoyl transferase inhibitors from Paecilomyces variotii
Aspergillus fumigatus
1 reference
stated in
Metabolomics ofAspergillus fumigatus
Identifiers
InChI
InChI=1S/C21H39NO7/c1-2-3-4-9-12-16(24)13-10-7-5-6-8-11-14-17(25)18(26)19(27)21(22,15-23)20(28)29/h11,14,17-19,23,25-27H,2-10,12-13,15,22H2,1H3,(H,28,29)/b14-11+/t17-,18+,19-,21-/m0/s1
0 references
InChIKey
UKUPHONHODZPDA-RPQNWQSJSA-N
0 references
PubChem CID
11750429
2 references
stated in
PubChemLite tier0 and tier1
matched by identifier from
InChIKey
InChIKey
UKUPHONHODZPDA-RPQNWQSJSA-N
38357082
1 reference
matched by identifier from
InChIKey
InChIKey
UKUPHONHODZPDA-RPQNWQSJSA-N
ChEBI ID
169864
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C21H39NO7/c1-2-3-4-9-12-16(24)13-10-7-5-6-8-11-14-17(25)18(26)19(27)21(22,15-23)20(28)29/h11,14,17-19,23,25-27H,2-10,12-13,15,22H2,1H3,(H,28,29)/b14-11+/t17-,18+,19-,21-/m0/s1
UniChem compound ID
9377703
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA032612
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
UKUPHONHODZPDA-RPQNWQSJSA-N
LIPID MAPS ID
LMSP01080065
1 reference
stated in
LIPID MAPS
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
retrieved
30 June 2018
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