Tetradecanoyl-coa

HCID 11966124
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기본 정보

CAS
3130-72-1
표준 SMILES
CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O
InChIKey
DUAFKXOFBZQTQE-QSGBVPJFSA-N
분자식
C35H62N7O17P3S
평균 분자량
977.9 g/mol

개요

Myristoyl-CoA is a long-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of myristic acid. It has a role as a mouse metabolite and an Escherichia coli metabolite. It is a saturated fatty acyl-CoA, a long-chain fatty acyl-CoA and an 11,12-saturated fatty acyl-CoA. It is functionally related to a coenzyme A and a tetradecanoic acid. It is a conjugate acid of a myristoyl-CoA(4-).

이름 및 식별자

우선 이름
Tetradecanoyl-coa
IUPAC
S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] tetradecanethioate

이름 및 동의어

myristoyl-CoAtetradecanoyl-CoA3130-72-1S-Tetradecanoyl-coenzyme AMyristyl-CoATetradecanoyl Coenzyme ACoenzyme A, S-myristateCHEBI:155323'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(tetradecanoylsulfanyl)ethyl]amino}propyl)amino]butyl} dihydrogen diphosphate)n-C14:0CoAS-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] tetradecanethioate3'-phosphoadenosine 5'-(3-((3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-((3-oxo-3-((2-(tetradecanoylsulfanyl)ethyl)amino)propyl)amino)butyl) dihydrogen diphosphate)
이름 더 보기
S-(2-(3-(((2R)-4-((((2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl)methoxy-hydroxyphosphoryl)oxy-hydroxyphosphoryl)oxy-2-hydroxy-3,3-dimethylbutanoyl)amino)propanoylamino)ethyl) tetradecanethioateRefChem:188515(((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(((hydroxy(((hydroxy((3-hydroxy-2,2-dimethyl-3-((2-((2-(tetradecanoylsulfanyl)ethyl)carbamoyl)ethyl)carbamoyl)propoxy))phosphoryl)oxy))phosphoryl)oxy)methyl)oxolan-3-yl)oxy)phosphonic acid{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy({3-hydroxy-2,2-dimethyl-3-[(2-{[2-(tetradecanoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]propoxy})phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acidCoenzyme A, tetradecanoyl-DUAFKXOFBZQTQE-QSGBVPJFSA-NN-Myristoyl coenzyme An-C14:0-coenzyme A

데이터베이스 식별자

CAS
3130-72-1
PubChem CID
11966124
ChEMBL
CHEMBL1949899
ChEBI
CHEBI:15532
Nikkaji
J589.553G

물성

구조 계산 물성보충 중

XLogP
0.6
극성 표면적
389 Ų
수소 결합 공여자 수
9
수소 결합 수용자 수
22
회전 가능 결합 수
32
무거운 원자 수
63

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Fatty acyl CoAs [FA0705]

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