Results for:
PubChem ID: 10465

Heptadecanoic Acid

Mass-Spectra

Compound Details

Synonymous names	HEPTADECANOIC ACID 506-12-7 Margaric acid n-Heptadecanoic acid Margarinic acid n-Heptadecylic acid n-Heptadecoic acid Heptadecylic acid NSC 3743 C17:0 Normal-heptadecanoic acid MFCD00002751 68424-37-3 V987Y9OZ8L CHEBI:32365 margarinate margaroate NSC-3743 n-heptadecoate n-heptadecylate 63399-94-0 EINECS 208-027-1 BRN 1781004 UNII-V987Y9OZ8L Margarinsaeure margaric'acid margaroic acid Daturinic acid Daturic acid heptadecoic acid AI3-36481 Heptadecanoic acic X90 EINECS 270-298-7 Normal-heptadecanoate heptadecansäure Lead(2+) heptadecanoate Heptadecanoic acid, 98% DSSTox_CID_1596 EC 270-298-7 MARGARIC ACID [MI] SCHEMBL5941 DSSTox_RID_78651 DSSTox_GSID_28306 Heptadecanoic acid, >=98% 4-02-00-01193 (Beilstein Handbook Reference) WLN: QV16 CH3-[CH2]15-COOH CHEMBL1172910 DTXSID5021596 FA 17:0a AMY5932 NSC3743 EINECS 264-123-3 EINECS 266-928-5 Tox21_202550 BBL013181 LMFA01010017 s3336 STL163960 AKOS005716689 CS-W004284 FA 17:0 HY-W004284 MCULE-9357391090 NSC 122836 NCGC00260099-01 AS-57021 BP-27918 BP-30092 SY010570 SDA 19-005-00 CAS-67701-03-5 H0019 NS00019727 EN300-19173 EC 266-928-5 H10748 A871505 Q902204 8EBAABCC-09B2-43FB-945D-A70E5905BFBE Z104473032
Microorganism:	Yes
IUPAC name	heptadecanoic acid
SMILES	CCCCCCCCCCCCCCCCC(=O)O
Inchi	InChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19)
Formula	C17H34O2
PubChem ID	10465
Molweight	270.5
LogP	6.9
Atoms	19
Bonds	15
H-bond Acceptor	2
H-bond Donor	1
Chemical Classification	acids carboxylic acids organic acids
CHEBI-ID	32365
Supernatural-ID	SN0183450

mVOC Specific Details

Boiling Point	Degree Reference 363 median
MS-Links	MS-MS Spectrum 202726 MS-MS Spectrum 202721 MS-MS Spectrum 32180 MS-MS Spectrum 25624 MS-MS Spectrum 202727 MS-MS Spectrum 25622 MS-MS Spectrum 202725 MS-MS Spectrum 32182 MS-MS Spectrum 202729 MS-MS Spectrum 32181 MS-MS Spectrum 25623 MS-MS Spectrum 202723 MS-MS Spectrum 202728 MS-MS Spectrum 202722 MS-MS Spectrum 202724
1D-NMR-Links	1D NMR Spectrum 2413 - JEOL 90 MHz 1H NMR 1D NMR Spectrum 1869 - Bruker 600 MHz 1H NMR 1D NMR Spectrum 3103 - Varian 25.16 MHz 13C NMR
Massbank-Links	Massbank Spectrum MSBNK-Antwerp_Univ-METOX_N105226_9C9C Massbank Spectrum MSBNK-Antwerp_Univ-METOX_N105226_9CB7 Massbank Spectrum MSBNK-Antwerp_Univ-METOX_N105226_B8BB Massbank Spectrum MSBNK-Antwerp_Univ-METOX_N105257_5CB7 Massbank Spectrum MSBNK-Antwerp_Univ-METOX_N105258_4D57 Massbank Spectrum MSBNK-Antwerp_Univ-METOX_N105258_63A5 Massbank Spectrum MSBNK-BS-BS003907 Massbank Spectrum MSBNK-BS-BS003908 Massbank Spectrum MSBNK-BS-BS003909 Massbank Spectrum MSBNK-BS-BS003910 Massbank Spectrum MSBNK-BS-BS003911 Massbank Spectrum MSBNK-Metabolon-MT000073 Massbank Spectrum MSBNK-Osaka_Univ-OUF00262

Species emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Prokaryota Streptomycetes Sp. n/a NA Stritzke et al. 2004 Eukaryota Pleurotus Cystidiosus na na Usami et al. 2014
Method	Kingdom Species Growth Medium Applied Method Verification Prokaryota Streptomycetes Sp. n/a n/a no Eukaryota Pleurotus Cystidiosus na GC/MS, GC-O, AEDA no