4HT

4-HYDROXYTRYPTOPHAN

Created:	2004-01-20
Last modified:	2024-09-27

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4 entries where 4HT is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	1
Bond Count	29
Aromatic Bond Count	10

2D diagram of 4HT

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Chemical Component Summary
Name	4-HYDROXYTRYPTOPHAN
Systematic Name (OpenEye OEToolkits)	(2S)-2-amino-3-(4-hydroxy-1H-indol-3-yl)propanoic acid
Formula	C₁₁ H₁₂ N₂ O₃
Molecular Weight	220.225
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(N)Cc2c1c(cccc1O)nc2
SMILES	CACTVS	3.341	N[CH](Cc1c[nH]c2cccc(O)c12)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	c1cc2c(c(c1)O)c(c[nH]2)CC(C(=O)O)N
Canonical SMILES	CACTVS	3.341	N[C@@H](Cc1c[nH]c2cccc(O)c12)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc2c(c(c1)O)c(c[nH]2)C[C@@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C11H12N2O3/c12-7(11(15)16)4-6-5-13-8-2-1-3-9(14)10(6)8/h1-3,5,7,13-14H,4,12H2,(H,15,16)/t7-/m0/s1
InChIKey	InChI	1.03	QSHLMQDRPXXYEE-ZETCQYMHSA-N

Related Resource References

Resource Name	Reference
PubChem	86310453, 85479
ChEBI	CHEBI:40072

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