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triacontanoate

PropertiesImage
MNX_IDMNXM61353 Image of MNXM61353
referencechebi:31004
formulaC30H59O2
global charge-1
mol weight451.8
InChIKeyVHOCUJPBKOZGJD-UHFFFAOYSA-M
InChIInChI=1S/C30H60O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30(31)32/h2-29H2,1H3,(H,31,32)/p-1
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C30H60O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30(31)32/h2-29H2,1H3,(H,31,32) Image of MNXM61353
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][C:30](=[O:31])[OH:32]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)11
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:31004
chebi:31004
VHOCUJPBKOZGJD-UHFFFAOYSA-M
triacontanoate
CH3-[CH2]28-COO(-)
Triacontanoat
melissate
n-triacontanoate
triacontoate
hmdb:HMDB0030925
VHOCUJPBKOZGJD-UHFFFAOYSA-N
Melissic acid A
1-Triacontanoate
1-Triacontanoic acid
CH3-[CH2]28-COOH
FA(30:0)
Melissate
Melissate a
Melissic acid
Melissic acid,synthetic
Myricate
Myricic acid
N-Triacontanoate
N-Triacontanoic acid
Triacontanoic acid
Triacontansaeure
Triacontoate
Triacontoic acid
triacontanoic acid

lipidmaps:LMFA01010030
lipidmapsM:LMFA01010030
VHOCUJPBKOZGJD-UHFFFAOYSA-N
Melissic acid
C30:0
FA 30:0
Myricic acid
Triacontanoic acid

seed.compound:cpd24920
seedM:cpd24920
VHOCUJPBKOZGJD-UHFFFAOYSA-M
melissate
melissic acid
myricic acid
n-triacontanoic acid
triacontanoate
triacontanoic acid

SLM:000000543
slm:000000543
VHOCUJPBKOZGJD-UHFFFAOYSA-M
triacontanoate
Melissate

metacyc.compound:CPD-7837
metacycM:CPD-7837
VHOCUJPBKOZGJD-UHFFFAOYSA-M
triacontanoate
melissate
melissic acid
myricic acid
n-triacontanoic acid
triacontanoic acid

CHEBI:31003
chebi:31003
VHOCUJPBKOZGJD-UHFFFAOYSA-N
triacontanoic acid
1-triacontanoic acid
CH3-[CH2]28-COOH
Triacontansaeure
melissic acid
myricic acid
n-triacontanoic acid
triacontoic acid

hmdb:HMDB30925
seedM:M_cpd24920
secondary/obsolete/fantasy identifier