기본 정보
- CAS
102731-57-7- 표준 SMILES
CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC- InChIKey
XYSBQYUENLDGMI-QGZVFWFLSA-N- 분자식
- C19H37O8P
- 평균 분자량
- 424.5 g/mol
- 단동위원소 질량
- 424.22260513
개요
1,2-dioctanoyl-sn-glycero-3-phosphate is a 1,2-diacyl-sn-glycero-3-phosphate in which the acyl groups at positions 1 and 2 are specified as octanoyl. It is a 1,2-diacyl-sn-glycerol 3-phosphate and an octanoate ester. It is a conjugate acid of a 1,2-dioctanoyl-sn-glycero-3-phosphate(2-).
이름 및 식별자
- 우선 이름
- 1,1'-((1R)-1-((Phosphonooxy)methyl)-1,2-ethanediyl) dioctanoate
- IUPAC
- [(2R)-2-octanoyloxy-3-phosphonooxypropyl] octanoate
- 현지명
- 디옥타노일포스파티드산
- 영어명
- dioctanoylphosphatidic acid
- 분자식
- C19H37O8P
- 분자량
- 424.47
이름 및 동의어
Dioctanoylphosphatidic acidDic8PA102731-57-7637NLP8R7JDTXSID70145477J791.705HOctanoic acid, 1-((phosphonooxy)methyl)-1,2-ethanediyl ester, (R)-1,1'-((1R)-1-((PHOSPHONOOXY)METHYL)-1,2-ETHANEDIYL) DIOCTANOATEOctanoic acid, 1-[(phosphonooxy)methyl]-1,2-ethanediyl ester, (R)-RefChem:906532DTXCID10679681,2-dioctanoyl-sn-glycero-3-phosphate
이름 더 보기
디옥타노일포스파티드산Octanoic acid, 1,1'-[(1R)-1-[(phosphonooxy)methyl]-1,2-ethanediyl] ester
[(2R)-2-octanoyloxy-3-phosphonooxypropyl] octanoateCHEMBL202185PA(8:0/8:0)1,2-Dioctanoyl-sn-glycero-3-phosphatidic acidPA(16:0)(2R)-3-(phosphonooxy)propane-1,2-diyl dioctanoateDioctanoyl Phosphatidic AcidPA 16:0
데이터베이스 식별자
- CAS
102731-57-7- PubChem CID
- 128167
- DTXSID
DTXSID70145477- ChEMBL
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 119 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 20
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 463
실험 및 물리화학적 성질
LipidsLipids -> Glycerophospholipids [GP] -> Glycerophosphates [GP10] -> Diacylglycerophosphates [GP1001]
Physical DescriptionSolid
Collision Cross Section201.2 Ų [M-H]- [CCS Type: TIMS; Method: calibrated with 4 ions from ESI LC/MS tuning mix (Agilent)]
화학 및 산업
약리 정보
Metabolite PathwaysDe Novo Triacylglycerol Biosynthesis TG(8:0/8:0/10:0)
공급사1 곳
HONEST JOY HOLDINGS LIMITED[email protected]
추가 설명
정의ChEBI: A 1,2-diacyl-sn-glycero-3-phosphate in which the acyl groups at positions 1 and 2 are specified as octanoyl.
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