RJA

Ratjadone A, bound form

Created:	2012-10-11
Last modified:	2024-09-27

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2 entries where RJA is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	78
Chiral Atom Count	7
Bond Count	78
Aromatic Bond Count	0

2D diagram of RJA

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Chemical Component Summary
Name	Ratjadone A, bound form
Systematic Name (OpenEye OEToolkits)	(5R,6E,8Z,10R,12E,14E,16R)-8,10,12-trimethyl-16-[(2R,4R,5S,6S)-5-methyl-4-oxidanyl-6-[(E)-prop-1-enyl]oxan-2-yl]-5,16-bis(oxidanyl)hexadeca-6,8,12,14-tetraenoic acid
Formula	C₂₈ H₄₄ O₆
Molecular Weight	476.645
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)CCCC(O)/C=C/C(=C\C(C)CC(=C\C=C\C(O)C1OC(/C=C/C)C(C(O)C1)C)\C)C
SMILES	CACTVS	3.370	CC=C[CH]1O[CH](C[CH](O)[CH]1C)[CH](O)C=CC=C(C)C[CH](C)C=C(C)C=C[CH](O)CCCC(O)=O
SMILES	OpenEye OEToolkits	1.7.6	CC=CC1C(C(CC(O1)C(C=CC=C(C)CC(C)C=C(C)C=CC(CCCC(=O)O)O)O)O)C
Canonical SMILES	CACTVS	3.370	C\C=C\[C@@H]1O[C@H](C[C@@H](O)[C@@H]1C)[C@H](O)/C=C/C=C(C)/C[C@@H](C)/C=C(C)\C=C\[C@H](O)CCCC(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	C/C=C/[C@H]1[C@H]([C@@H](C[C@@H](O1)[C@@H](/C=C/C=C(\C)/C[C@@H](C)/C=C(/C)\C=C\[C@@H](CCCC(=O)O)O)O)O)C
InChI	InChI	1.03	InChI=1S/C28H44O6/c1-6-9-26-22(5)25(31)18-27(34-26)24(30)12-7-10-19(2)16-21(4)17-20(3)14-15-23(29)11-8-13-28(32)33/h6-7,9-10,12,14-15,17,21-27,29-31H,8,11,13,16,18H2,1-5H3,(H,32,33)/b9-6+,12-7+,15-14+,19-10+,20-17-/t21-,22+,23-,24-,25-,26+,27-/m1/s1
InChIKey	InChI	1.03	SSWVBXXPYARFKL-PUAIALDQSA-N

Related Resource References

Resource Name	Reference
PubChem	137349953

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