Abietadiene (BioDeep_00000008926)

PANOMIX_OTCML-2023 Volatile Flavor Compounds

代谢物信息卡片

phenanthrene, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,1,4a-trimethyl-7-(1-methylethyl)-, (4aS,4bR,10aS)-

化学式: C20H32 (272.2503872)
中文名称: 阿比塔-7，13-二烯
谱图信息: 最多检出来源 Viridiplantae(plant) 2.04%

分子结构信息

SMILES: C1(CC[C@@]2([H])C(=CC[C@@]3([H])C(C)(C)CCC[C@@]32C)C=1)C(C)C
InChI: InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18-,20+/m0/s1

描述信息

同义名列表

7 个代谢物同义名

(4aS,4bR,10aS)-7-Isopropyl-1,1,4a-trimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene; Abieta-7,13-diene; (-)-Abietadiene; Abietadiene; phenanthrene, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,1,4a-trimethyl-7-(1-methylethyl)-, (4aS,4bR,10aS)-; (-)-Abietadiene; Abieta-7,13-diene

数据库引用编号

16 个数据库交叉引用编号

ChEBI: CHEBI:30232
KEGG: C11878
PubChem: 443470
PubChem: 14241160
Metlin: METLIN41252
LipidMAPS: LMPR0104050002
KNApSAcK: C00000868
KNApSAcK: C00000878
CAS: 35241-40-8
PMhub: MS000022647
PubChem: 14040
3DMET: B04357
NIKKAJI: J668.689C
KNApSAcK: 30232
LOTUS: LTS0075278
wikidata: Q27104115

分类词条

代谢反应

6 个相关的代谢反应过程信息。

Reactome(0)

BioCyc(3)

abietic acid biosynthesis: (+)-copalyl diphosphate ⟶ abieta-7,13-diene + diphosphate
superpathway of diterpene resin acids biosynthesis: (+)-copalyl diphosphate ⟶ abieta-7,13-diene + diphosphate
dehydroabietic acid biosynthesis: (+)-copalyl diphosphate ⟶ abieta-7,13-diene + diphosphate

WikiPathways(0)

Plant Reactome(0)

INOH(0)

PlantCyc(3)

dehydroabietic acid biosynthesis: A + abieta-7,13-diene ⟶ A(H2) + abietatriene
abietic acid biosynthesis: (+)-copalyl diphosphate ⟶ abieta-7,13-diene + diphosphate
superpathway of diterpene resin acids biosynthesis: A + abieta-7,13-diene ⟶ A(H2) + abietatriene

COVID-19 Disease Map(0)

PathBank(0)

PharmGKB(0)

15 个相关的物种来源信息

46611 - Abies grandis: 10.1104/PP.106.3.999
97177 - Abies nordmanniana: 10.1007/BF00577187
93692 - Cedrus libani: 10.1016/J.PHYMED.2007.03.013
3369 - Cryptomeria japonica: 10.1248/CPB.52.354
224740 - Juniperus sabina: 10.1016/S0031-9422(00)80113-2
123599 - Larix gmelinii:
193048 - Larix gmelinii var. gmelinii:
54800 - Larix kaempferi: 10.1007/BF00576230
3329 - Picea abies: 10.1007/BF00569584
130206 - Picea glehnii: 10.1007/BF00569584
308680 - Picea koraiensis: 10.1007/BF00569584
71642 - Pinus montezumae: 10.1104/PP.106.3.999
62752 - Pinus sibirica: 10.1007/BF00580109
1074822 - Pinus sylvestris var. hamata: 10.1007/BF00581596
3317 - Thuja occidentalis: 10.1080/10412905.1993.9698189

在这里通过桑基图来展示出与当前的这个代谢物在我们的BioDeep知识库中具有相关联信息的其他代谢物。在这里进行关联的信息来源主要有：

PubMed: 来源于PubMed文献库中的文献信息，我们通过自然语言数据挖掘得到的在同一篇文献中被同时提及的相关代谢物列表，这个列表按照代谢物同时出现的文献数量降序排序，取前10个代谢物作为相关研究中关联性很高的代谢物集合展示在桑基图中。
NCBI Taxonomy: 通过文献数据挖掘，得到的代谢物物种来源信息关联。这个关联信息同样按照出现的次数降序排序，取前10个代谢物作为高关联度的代谢物集合展示在桑吉图上。
Chemical Taxonomy: 在物质分类上处于同一个分类集合中的其他代谢物
Chemical Reaction: 在化学反应过程中，存在为当前代谢物相关联的生化反应过程中的反应底物或者反应产物的关联代谢物信息。

点击图上的相关代谢物的名称，可以跳转到相关代谢物的信息页面。

文献列表

Christopher I Keeling, Lina L Madilao, Philipp Zerbe, Harpreet K Dullat, Jörg Bohlmann. The primary diterpene synthase products of Picea abies levopimaradiene/abietadiene synthase (PaLAS) are epimers of a thermally unstable diterpenol. The Journal of biological chemistry. 2011 Jun; 286(24):21145-53. doi: 10.1074/jbc.m111.245951. [PMID: 21518766]
Matthew R Siebert, Jiaxu Zhang, Srirangam V Addepalli, Dean J Tantillo, William L Hase. The need for enzymatic steering in abietic acid biosynthesis: gas-phase chemical dynamics simulations of carbocation rearrangements on a bifurcating potential energy surface. Journal of the American Chemical Society. 2011 Jun; 133(21):8335-43. doi: 10.1021/ja201730y. [PMID: 21548620]
Volodymyr Samoylenko, D Chuck Dunbar, Md Abdul Gafur, Shabana I Khan, Samir A Ross, Jaber S Mossa, Farouk S El-Feraly, Babu L Tekwani, Jan Bosselaers, Ilias Muhammad. Antiparasitic, nematicidal and antifouling constituents from Juniperus berries. Phytotherapy research : PTR. 2008 Dec; 22(12):1570-6. doi: 10.1002/ptr.2460. [PMID: 19067375]
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