1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-glycero-3-phosphoserine
기본 정보
- CAS
91178-24-4- 표준 SMILES
CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OC[C@H](N)C(=O)O- InChIKey
ZGNVQERQNSXHHO-AOGDOVIASA-N- 분자식
- C40H74NO10P
- 평균 분자량
- 760 g/mol
- 단동위원소 질량
- 759.50503455
개요
PS(16:0/18:2(9Z,12Z)) is a phosphatidyl-L-serine.
이름 및 식별자
- 우선 이름
- 1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-glycero-3-phosphoserine
- IUPAC
- (2S)-2-amino-3-[[(2R)-3-hexadecanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
- 영어명
- 1-Palmitoyl-2-linoleoyl-sn-glycero-3-[phospho-L-serine](sodium salt)
- 분자식
- C40H74NO10P
- 분자량
- 759.99
이름 및 동의어
1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-glycero-3-phosphoserine(2S)-2-amino-3-[[(2R)-3-hexadecanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid(2S)-2-amino-3-(((2R)-3-hexadecanoyloxy-2-((9Z,12Z)-octadeca-9,12-dienoyl)oxypropoxy)-hydroxyphosphoryl)oxypropanoic acidRefChem:93508691178-24-4G518K33DHEPS(16:0/18:2(9Z,12Z))UNII-G518K33DHECardiolipins, bovine heart, sodium salts1-palmitoyl-2-linoleoyl-sn-glycero-3-phospho-l-serinePS(16:0/18:2)4,6,9-Trioxa-5-phosphaheptacosa-18,21-dienoic acid, 2-amino-5-hydroxy-10-oxo-8-(((1-oxohexadecyl)oxy)methyl)-, 5-oxide, (2S,8R,18Z,21Z)-
이름 더 보기
16:0-18:2 PS (SODIUM SALT)1-Palmitoyl-2-linoleoyl-sn-glycero-3-[phospho-L-serine](sodium salt)1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHO-L-SERINE (MONOSODIUM SALT)4,6,9-Trioxa-5-phosphaheptacosa-18,21-dienoic acid, 2-amino-5-hydroxy-10-oxo-8-[[(1-oxohexadecyl)oxy]methyl]-, 5-oxide, (2S,8R,18Z,21Z)-
물성
구조 계산 물성
- XLogP
- 9.4
- 극성 표면적
- 172 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 40
- 무거운 원자 수
- 52
- 형식 전하
- 0
- 복잡도
- 989
실험 및 물리화학적 성질
LipidsLipids -> Glycerophospholipids [GP] -> Glycerophosphoserines [GP03] -> Diacylglycerophosphoserines [GP0301]
Physical DescriptionSolid
Collision Cross Section269.24 Ų [M-H]- [CCS Type: TIMS; Method: single field calibrated]
화학 및 산업
약리 정보
Tissue LocationsAll Tissues
Cellular LocationsExtracellular
Metabolite PathwaysPhosphatidylcholine Biosynthesis PC(16:0/18:2(9Z,12Z))
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