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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > amino-acid derivative > proteinogenic amino acid derivative > l-aspartic acid derivative > 1-(ergostan-3beta-yl)-l-aspartate

Preferred term

1-(ergostan-3beta-yl)-l-aspartate  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C32H49NO4

has_functional_parent

inchi

  • InChI=1S/C32H49NO4/c1-19(2)20(3)7-8-21(4)25-11-12-26-24-10-9-22-17-23(37-30(36)28(33)18-29(34)35)13-15-31(22,5)27(24)14-16-32(25,26)6/h7-10,19-21,23,25-28H,11-18,33H2,1-6H3,(H,34,35)/b8-7+/t20-,21+,23-,25+,26-,27-,28-,31-,32+/m0/s1

inchikey

  • DHFWBWIMRDXKBG-QCNWGZANSA-N

mass

  • 511.747

monoisotopicmass

  • 511.36616

smiles

  • C1[C@@]2([C@]3(CC[C@]4([C@](C3=CC=C2C[C@H](C1)OC([C@@H]([NH3+])CC(=O)[O-])=O)(CC[C@@]4([C@H](C)/C=C/[C@@H](C(C)C)C)[H])[H])C)[H])C

subset

  • 2_STAR

synonym EXACT

  • 1-(ergostan-3beta-yl)-L-aspartate

synonym RELATED

  • Erg-Asp
  • ergosteryl-3beta-O-L-aspartate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:195261

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